Scientific Interests
This is my old web page. Visit my present web page at the IFTO Friedrich-Schiller University Jena 1 - Recent progress on fermionic exchange symmetry 2 - Electronic excitations in solar cells from GW approaches 3 - Response Functions in TDDFT: Concepts
and Implementation 4 - The Projector Augmented Wave Method 5 - The microscopic description of a macroscopic experiment 6 - Canonical group quantization, rotation generators, and quantum indistinguishability 7 - Fullerene-like CdSe nanoparticles 8 - Time-dependent electron localisation function: A tool to visualise and analyse ultrafast processes 9 - Nonlinear Optics in Finite Systems 10 - Propagators for the time-dependent Kohn-Sham equations 11 - Time versus frequency space techniques 12 - Biochromophores 13 - Density-Functional Theory 14 - A Tutorial on Density Functional Theory 15 - Time-Dependent Density Functional Theory 16 - Symmetry properties of two-dimensional photonic crystals 17 - Special issue in honor of Eberhard K.U. Gross for his 65th birthday 18 - First Principles Approaches to Spectroscopic Properties of Complex Materials 19 - Fundamentals of Time-Dependent Density Functional Theory 20 - Time-dependent density-functional theory 21 - Time-Dependent Density Functional Theory 22 - A Primer in Density-Functional Theory 23 - A Teoria de Tudo - A origem e o destino do universo 24 - Um Universo Diferente 25 - O (Mau) Comportamento dos Mercados 26 - Implications of pinned occupation numbers for natural orbital expansions. I: Generalizing the concept of active spaces 27 - On the time evolution of fermionic occupation numbers 28 - Semilocal exchange-correlation potentials for solid-state calculations: Current status and future directions 29 - On the calculation of the band gap of periodic solids with MGGA functionals using the total energy 30 - Mechanism of surface passivation of methylammonium lead tribromide single crystals by benzylamine 31 - Double perovskites as p-type conducting transparent
semiconductors: A high-throughput search 32 - Reduced density matrix functional theory for superconductors 33 - Machine Learning the Physical Non-Local Exchange-Correlation Functional of
Density-Functional Theory 34 - Representability problem of density functional theory for superconductors 35 - Recent advances and applications of machine learning in solid-state materials science 36 - Rare-earth magnetic nitride perovskites 37 - Computational acceleration of prospective dopant discovery in cuprous iodide 38 - Neural network force fields for simple metals and semiconductors: construction and application to the calculation of phonons and melting temperatures 39 - Structural prediction of stabilized atomically-thin tin layers 40 - Large-scale benchmark of exchange-correlation functionals for the determination of electronic band gaps of solids 41 - Stable Ordered Phases of Cuprous Iodide with Complexes of Copper Vacancies 42 - Local modified Becke-Johnson exchange-correlation potential for interfaces, surfaces, and two-dimensional materials 43 - The Abinit project: Impact, environment and recent developments 44 - Propagators for the time-dependent Kohn-Sham equations: multistep, Runge-Kutta, exponential Runge-Kutta, and commutator free Magnus methods 45 - Efficient automatized density-functional tight-binding parameterizations: Application to group IV elements 46 - Static correlated functionals for reduced density matrix functional theory 47 - Predicting the stability of ternary intermetallics with density
functional theory and machine learning 48 - Nitrogen-hydrogen-oxygen ternary phase diagram: New phases at high pressure from structural prediction 49 - The ground state of two-dimensional silicon 50 - Local hybrid density functional for interfaces 51 - Stable hybrid organic-inorganic halide perovskites for
photovoltaics from ab-initio high-throughput calculations 52 - Size-dependent optical absorption of Cu2ZnSn(Se,S)4 quantum dot sensitizers from ab initio many-body methods 53 - Recent developments in LIBXC - a comprehensive library of functionals for density functional theory 54 - High-pressure phases of VO2 from the combination of Raman scattering and ab initio structural search 55 - Efficient first-principles prediction of solid stability: Towards chemical accuracy 56 - From mesoscale to nanoscale mechanics in single-wall
carbon nanotubes 57 - Reconstructing quantum states from single-party information 58 - Relating correlation measures: the importance of the energy gap 59 - Towards a formal definition of static and dynamic electronic correlations 60 - Optimization of the ionization time of an atom with tailored laser pulses: a theoretical study 61 - Anisotropic layered Bi2Te3-In2Te3 composites: control of interface density for tuning of thermoelectric properties 62 - Predicting the thermodynamic stability of solids combining density functional theory and machine learning 63 - High-throughput search of ternary chalcogenides for p-type transparent electrodes 64 - Emergence of superconductivity in doped H2O ice at
high pressure 65 - Structural prediction of two-dimensional materials under strain 66 - Pressure-induced radial collapse in few-wall carbon
nanotubes: A combined theoretical and experimental
study 67 - Natural extension of Hartree–Fock through extremal 1-fermion information: overview and application to the lithium atom 68 - Radial collapse of carbon nanotubes for conductivity
optimized polymer composites 69 - Topological Crystalline Insulator in a New Bi Semiconducting Phase 70 - The optimal one dimensional periodic table: a modified Pettifor chemical scale from data mining 71 - Novel crystal structures for lithium-silicon alloy predicted by minima
hopping method 72 - Investigation of new phases in the Ba–Si phase diagram under high pressure using ab initio structural search 73 - Stable single-phase Zn-rich Cu2ZnSnSe4 through In doping 74 - Stability and electronic properties of new
inorganic perovskites from high-throughput ab
initio calculations 75 - Rigamonti et al. Reply: Estimating Excitonic Effects in the Absorption Spectra of Solids: Problems and Insight from a Guided Iteration Scheme 76 - Prediction and synthesis of a non-Zintl silicon clathrate 77 - Nanostructured water and carbon dioxide inside collapsing carbon nanotubes at high pressure 78 - Quasipinning and selection rules for excitations in atoms and molecules 79 - Superconductivity in an expanded phase of ZnO: an ab initio study 80 - Generalized Pauli constraints in reduced density matrix functional theory 81 - Insights into the modulation of light absorption by chlorophyll in green plants 82 - Low-density silicon allotropes for photovoltaic applications 83 - Optimized Exchange and Correlation Functional for the Calculation of Energies of Formation 84 - Novel phases of lithium-aluminum binaries from first-principles structural search 85 - Prediction of Stable Nitride Perovskites 86 - Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent GW and the Bethe-Salpeter equation 87 - Estimating Excitonic Effects in the Absorption Spectra of Solids: Problems and Insight from a Guided Iteration Scheme 88 - Detection of novel Cu2Zn5SnSe8 and Cu2Zn6SnSe9 phases in co-evaporated Cu2ZnSnSe4 thin-films 89 - Materials design on-the-fly 90 - Identification of novel Cu, Ag, and Au ternary oxides from global structural prediction 91 - Real-space grids and the Octopus code as tools
for the development of new simulation
approaches for electronic systems 92 - Ab initio calculations of the ground and excited states of the YN molecule including spin-orbit effects 93 - Entanglement in N-harmonium: bosons and fermions 94 - Why doubly excited determinants govern configuration interaction calculations of electron correlations 95 - Construction of the B88 exchange-energy functional in two dimensions 96 - Accuracy of generalized gradient approximation functionals for density functional perturbation theory calculations 97 - Comment on “Towards Direct-Gap Silicon Phases by the Inverse Band Structure
Design Approach” 98 - Band alignment and local structure of CIGS alloys from combining X-ray
absorption spectroscopy and ab initio calculations 99 - Benchmark Many-Body GW and Bethe-Salpeter calculations for small transition-metal molecules 100 - Novel structural motif in low energy phases of NaSc(BH4)4 101 - Benchmarking the AK13 Exchange Functional: Ionization Potentials and Electron Affinities 102 - Density-functional tight-binding study of the collapse of
Carbon Nanotubes under hydrostatic pressure 103 - Electronic Structure with Spin Orbit Calculations of the Low-Lying Electronic States of the Molecule YS 104 - Physical Wigner functions 105 - Quasipinning and entanglement in the lithium isoelectronic series 106 - Probing Time-Dependent Molecular Dipoles on the Attosecond Timescale 107 - Full Color Modulation of Firefly Luciferase
through Engineering with Unified Stark Effect 108 - Benchmarking the starting points of the GW approximation for molecules 109 - Atomic and electronic properties of quasi-one-dimensional MoS2 nanowires 110 - Prediction of a novel monoclinic carbon allotrope 111 - Conducting boron sheets formed by the reconstruction of the α-boron (111) surface 112 - Ab-initio electronic gaps of Ge nanodots: the role of self-energy effects 113 - Comment on "Topological insulators in ternary compounds with honeycomb lattice" 114 - Sodium-gold binaries: novel structures for ionic compounds from ab initio
structural search 115 - Strong renormalization of the electronic band gap due to lattice polarization in the GW formalism 116 - Carbon structures and defect-planes in diamond at high pressure 117 - Low-Energy Polymeric Phases of Alanates 118 - The crystal structure of the p-type transparent conductive
oxide CuBO2 119 - Ab initio calculation of the low-lying electronic
states of the ZrN molecule 120 - Kirzhnits gradient expansion in two dimensions 121 - Testing one-body density functionals on a solvable model 122 - Lowest excited configuration of harmonium 123 - p-doping in expanded phases of ZnO: An ab initio study 124 - Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation 125 - Raman activity of sp3 carbon allotropes under pressure: A density
functional theory study 126 - High pressure structures of disilane and their superconducting properties 127 - Violation of a local form of the Lieb-Oxford bound 128 - Feedback mechanism for the stability of the band gap of CuInSe2 129 - The crystal structure of cold compressed graphite 130 - Novel structural motifs in low energy phases of LiAlH4 131 - Libxc: a library of exchange and correlation functionals for density functional theory 132 - Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications 133 - Ab initio angle- and energy-resolved photoelectron spectroscopy with
time-dependent density-functional theory 134 - TDDFT in massively parallel computer architectures: the octopus
project 135 - Optimal control of the electronic current density: Application to one-
and two-dimensional one-electron systems 136 - Accurate Color Tuning of Firefly Chromophore by Modulation of Local Polarization
Electrostatic Fields 137 - First-principles study of the band structure and optical absorption of CuGaS2 138 - Enhancing the superconducting transition temperature of BaSi2 by structural tuning 139 - Superconductivity in Layered Binary Silicides: A density functional theory study 140 - Simple preconditioning for time-dependent density functional perturbation theory 141 - Density-based mixing parameter for hybrid functionals 142 - Modeling van der Waals interactions between proteins and inorganic
surfaces from time-dependent density functional theory calculations 143 - Density functional theory beyond the linear regime: Validating adiabatic LDA 144 - Band structures of Cu2ZnSnS4 and Cu2ZnSnSe4 from many-body methods 145 - Ab initio and atomistic study of ferroelectricity in copper-doped potassium niobate 146 - Remarks on the Configuration Space Approach to Spin-Statistics 147 - Fragment molecular orbital investigation of the role of AMP protonation in firefly luciferase pH-sensitivity 148 - Bioheterojunction Effect on Fluorescence Origin and
Efficiency Improvement of Firefly Chromophores 149 - Semiconductor quantum tubes: Dielectric modulation and excitonic response 150 - Band structures of delafossite transparent conductive oxides from a self-consistent GW approach 151 - Effects of electronic and lattice polarization on the band-structure of delafossite transparent conductive oxides 152 - Strong interplay between structure and electronic properties in CuIn(S,Se)2: a first-principles study 153 - Excitonic effects in the optical properties of CdSe nanowires 154 - Toward an all-round semi-local potential for the electronic exchange 155 - Discontinuities of the Chemical Potential in
Reduced Density Matrix Functional Theory 156 - Formation of vacancies and copper substitutionals in potassium
sodium niobate under various processing conditions 157 - The challenge of predicting optical properties of biomolecules:
pros and cons of time-dependent density-functional theory 158 - Towards a gauge invariant method for molecular chiroptical properties in TDDFT 159 - Photoabsorption Spectra of Small Cationic Xenon Clusters from Time-Dependent Density Functional Theory 160 - Density-Matrix-Power Functional: Performance for Finite Systems and the
Homogeneous Electron Gas 161 - Optical and magnetic properties of boron fullerenes 162 - Alloying effects on the optical properties of Ge1-xSix nanocrystals from TDDFT and comparison with effective-medium theory 163 - Density gradients for the exchange energy of electrons in two dimensions 164 - Local atomic order and optical properties in amorphous and laser-crystallized GeTe 165 - ABINIT: First-principles approach to material and nanosystem properties 166 - The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures 167 - Empirical Functionals for Reduced Density Matrix Functional Theory 168 - On the use of Neumann principle for the calculation of the polarizability tensor 169 - Generating relativistic pseudo-potentials with explicit incorporation of semi-core states using APE, the Atomic Pseudo-potentials Engine 170 - Benchmark calculations for reduced density-matrix functional theory 171 - Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces 172 - Local correlation functional for electrons in two dimensions 173 - Specification of an extensible and portable file format for electronic structure and crystallographic data 174 - Biexciton Stability in Carbon Nanotubes 175 - Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to
polycyclic aromatic hydrocarbons 176 - Identification of CdSe fullerene-like nanoparticles from optical spectroscopy calculations 177 - Time-dependent density-functional theory for extended systems 178 - Origin of the optical contrast in phase change materials 179 - A time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities 180 - octopus: a tool for the application of time-dependent density functional theory 181 - Ab-initio prediction of pressure induced superconductivity in potassium 182 - A TDDFT study of the excited states of DNA bases and their assemblies 183 - Superconducting properties of Lithium, Potassium and Aluminium under extreme pressure: A first-principles study 184 - Magnetic response and NMR spectra of carbon nanotubes from ab initio calculations 185 - Superconducting properties of MgB2 from first principles 186 - Comment on "Quantum confinement and electronic properties of silicon nanowires" 187 - TDDFT from molecules to solids: the role of long-range interactions 188 - Ab-initio theory of superconductivity -- I: Density functional formalism and approximate functionals 189 - The planar-to-tubular structural transition in boron clusters from optical absorption 190 - Ab-initio theory of superconductivity -- II: Application to elemental metals 191 - A viable way to tailor carbon nanomaterials by irradiation-induced transformations 192 - Energy dependence of the exchange-correlation kernel of time-dependent density functional theory 193 - Time-dependent electron localization function 194 - Optical Absorption of the Blue Fluorescent Protein: a First Principles Study 195 - Excited states dynamics in time-dependent density functional theory:
high-field molecular dissociation and harmonic generation. 196 - Propagators for the time-dependent Kohn-Sham equations 197 - Optical properties of nanostructures from time-dependent density functional theory 198 - Time-dependent density functional theory 199 - On the breaking of carbon nanotubes under tension 200 - Long range contribution to the exchange-correlation kernel of time-dependent density functional theory 201 - Ab initio and semi-empirical dielectric response of superlattices 202 - Direct observation of the mechanical properties of single wall carbon nanotubes and their heterojunctions at the atomic level 203 - octopus: a first-principles tool for excited electron-ion dynamics. 204 - Time-dependent density-functional approach for biological chromophores:
the case of the green fluorescent protein 205 - Can optical spectroscopy directly elucidate the ground state of C20? 206 - Ab initio calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices 207 - Assessment of exchange-correlation functionals for the calculation
of dynamical properties of small clusters in time-dependent density functional theory 208 - Electronic states and optical properties of GaAs/AlAs and GaAs/vacuum superlattices by the linear combination of bulk bands method 209 - On-site magnetization in open antiferromagnetic chains: a classical analysis versus NMR experiments in a spin-1 compound 210 - Local Density Approximation for superconductors 211 - Tests of a density-based pseudopotential for sixteen simple metals 212 - O que É a Teoria dos Funcionais da Densidade? 213 - Entanglement and correlation energy in the lowest excited configuration of harmonium 214 - Semi-local density functional for the exchange-correlation energy of
electrons in two dimensions 215 - Exact biexciton binding energy in carbon nanotubes using a quantum Monte Carlo approach 216 - Superconducting properties of MgB2 from first principles 217 - Growth dynamics of hydrogenated silicon nanoparticles under realistic conditions of a plasma reactor 218 - A method to synthesize and tailor carbon nanotubes by electron irradiation in the TEM 219 - Ab-initio Computation of Superconducting Properties of Elemental Superconductors and MgB2 220 - Excited states properties of nanostructures and biomolecules through time dependent density functional theory 221 - Time and energy-resolved two photon photoemission of the Cu(100) and Cu(111) metal surfaces 222 - The electron gas in TDDFT and SCDFT 223 - Density Functional Theory for Superconductors 224 - Applications of time dependent density functional theory 225 - Calculating the critical temperature of superconductors from first principles 226 - Relativistic theory of superconductivity 227 - Theory of relativistic effects in superconductors 228 - Electronic excitations in CZTS from first-principles 229 - Some thoughts about old and new density functionals 230 - Electronic excitations in materials for photovoltaics 231 - Theoretical Spectroscopy 232 - Electronic excitations in thin-film materials for solar cells: beyond standard density functional theory 233 - The electronic structure of delafossite transparent conductive oxides 234 - Electronic properties of materials for thin-film solar cells:
Which ab initio approaches can we trust? 235 - The electronic structure of delafossite transparent conductive oxides 236 - Theoretical Spectroscopy 237 - Electronic excitations in thin-film solar cells: beyond standard density functional theory 238 - Electronic excitations in thin-film solar cells from restricted self-consistent GW 239 - libxc - a library of exchange and correlation functionals 240 - Electronic properties of CIGS materials for photovoltaic conversion:
self-consistent GW calculations 241 - Electronic properties of materials for thin-film solar cells:
Which ab initio approaches can we trust? 242 - Photoelectronic properties of chalcopyrites for photovoltaic conversion 243 - Ab initio modeling of optoelectronic properties of chalcopyrites for photovoltaic conversion 244 - The frequency dependent Sterheimer equation in TDDFT 245 - The frequency dependent Sterheimer equation in TDDFT 246 - Applications of TDDFT for finite systems 247 - How do rewritable DVDs work?
Optical properties of phase-change materials 248 - How do rewritable DVDs work?
Optical properties of phase-change materials 249 - Absorption spectra of biological systems from TDDFT 250 - Absorption spectra of biological systems from TDDFT 251 - TDDFT from clusters to solids 252 - Effets de la taille sur les propriétés des nano-particules 253 - Octopus: present, past, and future 254 - Absorption spectra of biological systems from TDDFT 255 - Describing linear and non-linear phenomena with time-dependent density functional theory 256 - Excited states dynamics in time-dependent density functional theory 257 - Estudo de nanotubos de carbono sob tensão 258 - Bonds in motion - The time-dependent electron localization function 259 - Applications of TDDFT 260 - Ab inito calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices 261 - Ab inito calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices 262 - Designing and understanding novel materials for energy 263 - Electronic excitations in Cu-based materials for thin-film solar cells 264 - State-of-the art ab initio calculations of electronic states and thermoelectric properties 265 - Electronic excitations in thin-film absorbers for photovoltaics 266 - Effects of Electronic and Lattice Polarization on the Band Structure
of Delafossite Transparent Conductive Oxides 267 - Théorie de la fonctionnelle de la densité pour les supraconducteurs 268 - The physics of CdSe nanocrystals: structural and optical properties from ab initio 269 - Absorption spectra of biological systems from TDDFT 270 - The time-dependent electron localization function 271 - A first-principles tool for excited-state dynamics 272 - Photoabsorption Spectra of Small Cationic Xenon Clusters from TDDFT 273 - Functionals of the one-body reduced density matrix originating from the homogeneous electron gas 274 - Absorption spectra of fluorescent proteins using TDDFT 275 - Absorption spectra of protein chromophores 276 - Propagators for systems of ordinary differential equations 277 - Predicting new materials from first principles (and their properties) 278 - Electronic excitations in CZTS from first-principles (II) 279 - Electronic excitations in CZTS from first-principles (I) 280 - Exchange-correlation functionals in DFT 281 - Electronic excitations in materials for photovoltaics 282 - Electronic excitations in materials for solar cells 283 - Electronic excitations in materials for thin-film solar cells 284 - New and old functionals in density functional approaches 285 - Theoretical spectroscopy - from basic developments to real-world applications 286 - Electronic properties of CIGS materials for photovoltaic conversion:
self-consistent GW calculations 287 - Ab initio approaches to electronic excitations in materials for
thin-film solar cells 288 - Electronic excitations in thin-film materials for solar cells: beyond standard density functional theory 289 - Electronic properties of materials for solar cells:
which ab initio approaches can we trust? 290 - Density-functional based study of nanomaterials: i) vdW interactions between nanocrystals and surfaces, ii) alloying effects in the optical properties of Si-Ge clusters 291 - Cluster-surface and cluster-cluster interactions: ab initio calculations and modelling of van der Waals forces 292 - Density Functional Theory of Superconductivity 293 - Disentangling the marginal problem in quantum chemistry 294 - Ab initio Calculations of the Electronic Properties of CuIn(S,Se)2 and other Materials for Photovoltaic Applications 295 - Electronic excitations in complex systems: beyond density functional theory for real materials 296 - Response Calculations within Time-Dependent Density Functional Theory 297 - Relativistic effects in the optical response of low-dimensional structures: new developments and applications within a time-dependent density functional theory framework 298 - Semi-empirical and ab initio calculations of the optical properties of semiconductor superlattices 299 - Density functional theory for superconductors: exchange and correlation potentials for inhomogeneous systems 300 - Scientific report of the international workshop on ‘New challenges in Reduced Density Matrix Functional Theory: Symmetries, time-evolution and entanglement’ 301 - Recherche d’hydrures de chlore stables sous
pression 302 - Génération de pseudo-potentiel atomique pour des matériaux
semi-conducteur 303 - Ab-initio study of the optical spectra
of the transparent conducting oxide
CuInO2 304 - TDDFT in massively parallel computer architectures: the octopus
project 305 - Editorial: Time-dependent density-functional theory 306 - Extensible and portable file format for electronic structure
and crystallographic data 307 - Transiciones de fase en suspensiones coloidales asimétricas 308 - Density functional theory for superconductorsPublications [LaTeX]
Books
Chapters of Books
C.L. Benavides-Riveros
in "Chemical Modelling Volume 14", edited by Michael Springborg and Jan-Ole Joswig (Royal Chemical Society, UK) (2017)
S. Botti, and J. Vidal
in "Computational Approaches to Energy Materials", edited by R. Catlow, A. Sokol and A. Walsh (John Wiley & Sons, Ltd, Publications), chapter 3, 29-70 (2013)
D. A. Strubbe, L. Lehtovaara, A. Rubio, M.A.L. Marques, and S. G. Louie
in "Fundamentals of Time-Dependent Functional Theory", edited by M.A.L. Marques, N. Maitra, F. Nogueira, E.K.U. Gross, and A. Rubio, chapter 7 (Springer-Verlag, Berlin), 139-166 (2012)
Lauri Lehtovaara
in "Fundamentals of Time-Dependent Functional Theory", edited by M.A.L. Marques, N. Maitra, F. Nogueira, E.K.U. Gross, and A. Rubio, chapter 20 (Springer-Verlag, Berlin), 391-400 (2012)
S. Botti, and M. Gatti
in "Fundamentals of Time-Dependent Functional Theory", edited by M.A.L. Marques, N. Maitra, F.M.S. Nogueira, E.K.U. Gross, and A. Rubio, chapter 3 (Springer-Verlag, Berlin Heidelberg), 29-50 (2012)
C.L. Benavides-Riveros, and A.F. Reyes-Lega
in "Geometric and Topological Methods for Quantum Field Theory", edited by H. Ocampo, E. Pariguan, and S. Paycha, chapter 9 (Cambridge University Press, Cambridge), 344-367 (2010)
S. Botti
Handbook of Nanophysics, edited by Klaus D. Sattler (Taylor&Francis Publisher, CRC Press, September 17), Vol. 3 (Nanoparticles and Quantum Dots), chapter 8.1 (2010)
A. Castro, T. Burnus, M.A.L. Marques, and E.K.U. Gross
in "Analysis and Control of Ultrafast Photoinduced Reactions", ed. by O. Kühn, L. Wöste, Springer Series in Chemical Physics Vol. 87, Springer, Heidelberg, 555-576 (2007)
C. Cardoso, F. Nogueira, and M. Marques
Nova Science Pulishers (2007)
Alberto Castro, and M.A.L. Marques
in Time-dependent density functional theory, ed. by M.A.L. Marques, C. Ullrich, F. Nogueira, A. Rubio, K. Burke, and E.K.U. Gross, Lecture Notes in Physics, Vol. 706, Springer, Berlin, 197-210 (2006)
M.A.L. Marques, and Angel Rubio
in Time-dependent density functional theory, ed. by M.A.L. Marques, C. Ullrich, F. Nogueira, A. Rubio, K. Burke, and E.K.U. Gross, Lecture Notes in Physics, Vol. 706, Springer, Berlin, 227-243 (2006)
X. Lopez, and M.A.L. Marques
in Time-dependent density functional theory, ed. by M.A.L. Marques, C. Ullrich, F. Nogueira, A. Rubio, K. Burke, and E.K.U. Gross, Lecture Notes in Physics, Vol. 706, Springer, Berlin, 323-336 (2006)
S. Kurth, M.A.L. Marques, and E.K.U. Gross
in Encyclopedia of Condensed Matter Physics, ed. by F. Bassani, J. Liedl, and P. Wyder (Elsevier), 395-402 (2005)
F. Nogueira, A. Castro, and M.A.L. Marques
in A Primer in Density-Functional Theory, C. Fiolhais, F. Nogueira, and M.A.L. Marques (ed.), Lecture Notes in Physics, Vol. 620, Springer, Berlin, 218-256 (2003)
M.A.L. Marques, and E.K.U. Gross
in A Primer in Density-Functional Theory, C. Fiolhais, F. Nogueira, and M.A.L. Marques (ed.), Lecture Notes in Physics, Vol. 620, Springer, Berlin., 144-184 (2003)
C. Andreani, M. Agio, and S. Botti
Electrons and Photons in Solids
(Quaderni della Scuola Normale Superiore di Pisa, Pisa, Italy), 71 (2001)Edited
M.A.L. Marques, F. Nogueira, A. Rubio, and C.A. Ullrich (Eds.)
Eur. Phys. J. B 91, 297 (2018)
C. Di Valentin, S. Botti, and M. Cococcioni (Eds.)
Topics in Current Chemistry (Springer-Verlag Berlin Heidelberg) 347 (2014)
M.A.L. Marques, N.T. Maitra, F.M.S. Nogueira, E.K.U. Gross, and A. Rubio (Eds.)
Lecture Notes in Physics, Vol. 837 (Springer, Berlin) (2012)
M.A.L. Marques, and A. Rubio (guest editors)
Phys. Chem. Chem. Phys. 11, 4421-4688 (2009)
M.A.L. Marques, C. Ullrich, F. Nogueira, A. Rubio, K. Burke, and E.K.U. Gross (Eds.)
Lecture Notes in Physics, Vol. 706 (Springer, Berlin) (2006)
C. Fiolhais, F. Nogueira, and M.A.L. Marques (Eds.)
Lecture Notes in Physics, Vol. 620 (Springer, Berlin) (2003)Translated
Stephen W. Hawking
translated into Portuguese by M.A.L. Marques (Gradiva, Lisboa) (2010)
Robert Laughlin
translated into Portuguese by M.A.L. Marques (Gradiva, Lisboa) (2008)
Benoit Mandelbrot
translated into Portuguese by M.A.L. Marques (Gradiva, Lisboa) (2006)Papers
International Journals
C. Schilling, C.L. Benavides-Riveros, A. Lopes, T. Maciążek, and A. Sawicki
submitted (2019)
C.L. Benavides-Riveros, and M.A.L. Marques
J. Chem. Phys 151, 044112 (2019)
F. Tran, J. Doumont, L. Kalantari, A.W. Huran, M.A.L. Marques, and P. Blaha
J. Appl. Phys. 126, 110902 (2019)
F. Tran, J. Doumont, P. Blaha, M.A.L. Marques, S. Botti, and A.P. Bartók
J. Chem. Phys. 151, 161102 (2019)
H. Duim, H.-H. Fang, S. Adjokatse, G. ten Brink, M.A.L. Marques, B. Kooi, G.R. Blake, S. Botti, and M.A. Loi
Appl. Phys. Rev. (Press release) 6, 031401 (2019)
Hai-Chen Wang, Paul Pistor, Miguel A. L. Marques, and Silvana Botti
J. Mater. Chem. A 7, 14705-14711 (2019)
J. Schmidt, C.L. Benavides-Riveros, and M.A.L. Marques
Phys. Rev. B 99, 224502 (2019)
J. Schmidt, C.L. Benavides-Riveros, and M.A.L. Marques
J. Phys. Chem. Lett. 10, 6425-6431 (2019)
J. Schmidt, C.L. Benavides-Riveros, and M.A.L. Marques
Phys. Rev. B 99, 024502 (2019)
J. Schmidt, M.R.G. Marques, S. Botti, and M.A.L. Marques
NPJ Comput. Mater. (also appeared in PsiK newsletter, Scientific Highlight of the Month, March) 5, 1-36 (2019)
J.A. Flores-Livas, R. Sarmiento-Pérez, S. Botti, S. Goedecker, and M.A.L. Marques
J. Phys.: Materials 2, 025003 (2019)
M. Graužinyte, S. Botti, M.A.L. Marques, S. Goedecker, and J.A. Flores-Livas
Phys. Chem. Chem. Phys. (inside front cover, selected as a 2019 HOT Article) 21, 18839-18849 (2019)
M.R.G. Marques, J. Wolff, C. Steigemann, and M.A.L. Marques
Phys. Chem. Chem. Phys. 21, 6506-6516 (2019)
P. Borlido, A.W. Huran, M.A.L. Marques, and S. Botti
NPJ 2D Mater. Appl. 3, 21 (2019)
P. Borlido, T. Aull, A.W. Huran, Fabien Tran, M.A.L. Marques, and S. Botti
J. Chem. Theor. Comput. 15, 5069-5079 (2019)
S. Jaschik, M.R.G. Marques, M. Seifert, C. Rödl, S. Botti, and M.A.L. Marques
Chem. Mater. 31, 7877-7882 (2019)
T. Rauch, M.A.L. Marques, and S. Botti
submitted (2019)
X. Gonze, B. Amadon, G. Antonius, F. Arnardi, L. Baguet, J.-M. Beuken, J. Bieder, F. Bottin, J. Bouchet, E. Bousquet, N. Brouwer, F. Bruneval, G. Brunin, T. Cavignac, J.-B. Charrau, W. Chen, M. Côté, S. Cottenier, J. Denier, G. Geneste, Ph. Ghosez, M. Giantomassi, Y. Gillet, O. Gingras, D.R. Hamann, G. Hautier, X. He, N. Helbig, N. Holzwarth, Y. Jia, F. Jollet, W. Lafargue-Dit-Hauret, K. Lejaeghere, M.A.L. Marques, A. Martin, C. Martins, H.P.C. Miranda, F. Naccarato, K. Persson, G. Petretto, V. Planes, Y. Pouillon, S. Prokhorenko, F. Ricci, G.-M. Rignanese, A.H. Romero, M.M. Schmitt, M. Torrent, M.J. van Setten, B. Van Troeye, M.J. Verstraete, G. Zérah, and J.W. Zwanziger
Comput. Phys. Commun. (2019)
A. Gómez Pueyo, M.A.L. Marques, A. Rubio, and A. Castro
J. Chem. Theory Comput. 14, 3040-3052 (2018)
A. Huran, C. Steigemann, T. Frauenheim, B. Aradi, and M.A.L. Marques
J. Chem. Theory Comput. 14, 2947-2954 (2018)
C.L. Benavides-Riveros, and M.A.L. Marques
Eur. Phys. J. B (special issue for the 65th birthday of Hardy Gross) 91, 133 (2018)
J. Schmidt, L. Chen, S. Botti, and M.A.L. Marques
J. Chem. Phys. 148, 241728 (2018)
J. Shi, W. Cui, S. Botti, and M.A.L. Marques
Phys. Rev. Mater. 2, 023604 (2018)
P. Borlido, C. Rödl, M.A.L. Marques, and S. Botti
2D Mater. 5, 035010 (2018)
P. Borlido, M.A.L. Marques, and S. Botti
J. Chem. Theory Comput. 14, 939-947 (2018)
S. Körbel, M.A.L. Marques, and S. Botti
J. Mater. Chem. A 6, 6463-6475 (2018)
S. Körbel, P. Boulanger, X. Blase, M.A.L. Marques, and S. Botti
Eur. Phys. J. B (special issue for the 65th birthday of Hardy Gross) 91, 215 (2018)
S. Lehtola, C. Steigemann, M.J.T. Oliveira, and M.A.L. Marques
Software X 7, 1-5 (2018)
V. Balédent, T.F.T. Cerqueira, R. Sarmiento-Pérez, A. Shukla, C. Bellin, M. Marsi, J.-P. Itié, M. Gatti, M.A.L. Marques, S. Botti, and J.-P. Rueff
Phys. Rev. B 97, 024107 (2018)
Y. Zhang, D.A. Kitchaev, J. Yang, T. Chen, S.T. Dacek, R. Sarmiento-Pérez, M.A.L. Marques, H. Peng, G. Ceder, J.P. Perdew, and J. Sun
npj Comput. Mater. 4, 9 (2018)
A.C. Torres-Dias, T.F.T. Cerqueira, W. Cui, M.A.L. Marques, S. Botti, D. Machon, M.A. Hartmann, Y. Sun, D.J. Dunstan, and A. San-Miguel
Carbon 123, 145-150 (2017)
C. Schilling, C.L. Benavides-Riveros, and P. Vrana
Phys. Rev. A 96, 052312 (2017)
C.L. Benavides-Riveros, N.N. Lathiotakis, C. Schilling, and M.A.L. Marques
Phys. Rev. A 95, 032507 (2017)
C.L. Benavides-Riveros, N.N. Lathiotakis, and M.A.L. Marques
Phys. Chem. Chem. Phys. 19, 12655-12664 (2017)
D. Kammerlander, A. Castro, and M.A.L. Marques
Eur. Phys. J. B 90, 91 (2017)
D. Liu, X. Li, P.M. de Castro Borlido, S. Botti, R. Schmechel, and M. Rettenmayr
Sci. Rep. 7, 43611 (2017)
J. Schmidt, J. Shi, P. Borlido, L. Chen, S. Botti, and M.A.L. Marques
Chem. Mater. 29, 5090-5103 (2017)
J. Shi, T.F.T. Cerqueira, W. Cui, F. Nogueira, S. Botti, and M.A.L. Marques
Sci. Rep. 7, 43179 (2017)
J.A. Flores-Livas, A. Sanna, M. Grauzinyte, A. Davydov, S. Goedecker, and M.A.L. Marques
Sci. Rep. 7, 6825 (2017)
P. Borlido, C. Steigemann, N.N. Lathiotakis, M.A.L. Marques, and S. Botti
2D Mater. 4, 045009 (2017)
R.S. Alencar, W. Cui, A.C. Torres-Dias, T.F.T. Cerqueira, S. Botti, M.A.L. Marques, O.P. Ferreira, Ch. Laurent, A. Weibel, D. Machon, D.J. Dunstan, A.G. Souza Filho, and A. San-Miguel
Carbon 125, 429-436 (2017)
C.L. Benavides-Riveros, and C. Schilling
Z. Phys. Chem. 230, 703-717 (2016)
F. Balima, S. Le Floch, C. Adessi, T.F.T. Cerqueira, N. Blanchard, R. Arenal, A. Brûlet, M.A.L. Marques, S. Botti, and A. San-Miguel
Carbon 106, 64-73 (2016)
F. Munoz, M.G. Vergniory, T. Rauch, J. Henk, E.V. Chulkov, I. Mertig, S. Botti, M.A.L. Marques, and A.H. Romero
Sci. Rep. 6, 21790 (2016)
H. Glawe, A. Sanna, E.K.U. Gross, and M.A.L. Marques
New J. Phys. 18, 093011 (2016)
I. Valencia-Jaime, R. Sarmiento-Pérez, S. Botti, M.A.L. Marques, M. Amsler, S. Goedecker, and A.H. Romero
J. Alloys Compd. 655, 147-154 (2016)
J. Shi, W. Cui, J.A. Flores-Livas, A. San-Miguel, S. Botti, and M.A.L. Marques
Phys. Chem. Chem. Phys. 18, 8108-8114 (2016)
S. Hartnauer, S. Körbel, M.A.L. Marques, S. Botti, P. Pistor, and R. Scheer
APL Mater. 4, 070701 (2016)
S. Körbel, M.A.L. Marques, and S. Botti
J. Mater. Chem. C 4, 3157-3167 (2016)
S. Rigamonti, S. Botti, V. Veniard, C. Draxl, L. Reining, and F. Sottile
Phys. Rev. Lett. 117, 159702 (2016)
T.F.T. Cerqueira, Stéphane Pailhès, Régis Debord, Valentina M. Giordano, Romain Viennois, Jingming Shi, Silvana Botti, and M.A.L. Marques
Chem. Mater. 28, 3711-3717 (2016)
W. Cui, T.F.T. Cerqueira, S. Botti, M.A.L. Marques, and A. San-Miguel
Phys. Chem. Chem. Phys. 18, 19926-19932 (2016)
C.L. Benavides-Riveros, and M. Springborg
Phys. Rev. A 92, 012512 (2015)
D. Hapiuk, M.A.L. Marques, P. Mélinon, J. A. Flores-Livas, S. Botti, and B. Masenelli
New J. Phys. 17, 043034 (2015)
Iris Theophilou, Nektarios N. Lathiotakis, M.A.L. Marques, and Nicole Helbig
J. Chem. Phys. 142, 154108 (2015)
Joaquim Jornet-Somoza, Joseba Alberdi-Rodriguez, Bruce F. Milne, Xavier Andrade, M.A.L. Marques, Fernando Nogueira, Micael J. T. Oliveira, and Angel Rubio
Phys. Chem. Chem. Phys. 17, 26599-26606 (2015)
Maximilian Amsler, Silvana Botti, M.A.L. Marques, Thomas J. Lenosky, and Stefan Goedecker
Phys. Rev. B 92, 014101 (2015)
R. Sarmiento-Pérez, S. Botti, and M.A.L. Marques
J. Chem. Theory Comput. 11, 3844-3850 (2015)
R. Sarmiento-Pérez, T.F.T. Cerqueira, I. Valencia-Jaime, M. Amsler, S. Goedecker, A.H. Romero, S. Botti, and M.A.L. Marques
J. Chem. Phys. 142, 024710 (2015)
R. Sarmiento-Pérez, T.F.T. Cerqueira, Sabine Körbel, Silvana Botti, and M.A.L. Marques
Chem. Mater. 27, 5957-5963 (2015)
S. Körbel, D. Kammerlander, R. Sarmiento-Pérez, C. Attaccalite, M.A.L. Marques, and S. Botti
Phys. Rev. B 91, 075134 (2015)
S. Rigamonti, S. Botti, V. Veniard, C. Draxl, L. Reining, and F. Sottile
Phys. Rev. Lett. 114, 146402 (2015)
T. Schwarz, M.A.L. Marques, S. Botti, M. Mousel, A. Redinger, S. Siebentritt, O. Cojocaru-Mirédin, D. Raabe, and P.-P. Choi
Appl. Phys. Lett. 107, 172102 (2015)
T.F.T. Cerqueira, R. Sarmiento-Pérez, M. Amsler, F. Nogueira, S. Botti, and M.A.L. Marques
J. Chem. Theory Comput. 11, 3955-3960 (2015)
T.F.T. Cerqueira, Sun Lin, M. Amsler, S. Goedecker, S. Botti, and M.A.L. Marques
Chem. Mater. 27, 4562-4573 (2015)
X. Andrade, D. Strubbe, U. De Giovannini, A. Hjorth Larsen, M.J.T. Oliveira, J. Alberdi-Rodriguez, A. Varas, I. Theophilou, N. Helbig, M. Verstraete, L. Stella, F. Nogueira, A. Aspuru-Guzik, A. Castro, M.A.L. Marques, and A. Rubio
Phys. Chem. Chem. Phys. 17, 31371-31396 (2015)
A. Farhat, M.A.L. Marques, and S.N. Abdul-Al
Chem. Phys. 429, 33-43 (2014)
C.L. Benavides-Riveros, I.V. Toranzo, and J.S. Dehesa
J. Phys. B: At. Mol. Opt. Phys. 47, 195503 (2014)
C.L. Benavides-Riveros, J.M. Gracia-Bondía, and M. Springborg
arXiv:1409.6435 (2014)
J. Vilhena, E. Rasanen, M.A.L. Marques, and S. Pittalis
J. Chem. Theory Comput. 10, 1837-1842 (2014)
Lianhua He, Fang Liu, Geoffroy Hautier, Micael J. T. Oliveira, M.A.L. Marques, Fernando D. Vila, J. J. Rehr, G.-M. Rignanese, and Aihui Zhou
Phys. Rev. B 89, 064305 (2014)
M. Amsler, J.A. Flores-Livas, S. Botti, M.A.L. Marques, and S. Goedecker
Phys. Rev. Lett. 112, 199801 (2014)
R. Sarmiento-Pérez, S. Botti, C.S. Schnohr, I. Lauermann, A. Rubio, and B. Johnson
J. Appl. Phys. 116, 093703 (2014)
S. Körbel, P. Boulanger, I. Duchemin, X. Blase, M.A.L. Marques, and S. Botti
J. Chem. Theory Comput. 10, 3934-3943 (2014)
T. D. Huan, M. Amsler, S. Botti, M.A.L. Marques, and S. Goedecker
J. Chem. Phys. 140, 124708 (2014)
T.F.T. Cerqueira, M. Oliveira, and M.A.L. Marques
J. Chem. Theory Comput. 10, 5625-5629 (2014)
T.F.T. Cerqueira, S. Botti, A. San Miguel, and M.A.L. Marques
Carbon 69, 355-360 (2014)
A. Farhat, M. Korek, S.N. Abdul-Al, and M.A.L Marques
Chem. Phys. 412, 109-116 (2013)
C.L. Benavides-Riveros, and J.M. Gracia-Bondía
Phys. Rev. A 87, 022118 (2013)
C.L. Benavides-Riveros, J.M. Gracia-Bondía, and M. Springborg
Phys. Rev. A 88, 022508 (2013)
Ch. Neidel, J. Klei, C.-H. Yang, A. Rouzée, M. J. J. Vrakking, K. Klünder, M. Miranda, C. L. Arnold, T. Fordell, A. L’Huillier, M. Gisselbrecht, P. Johnsson, M.P. Dinh, E. Suraud, P.-G. Reinhard, V. Despré, M.A.L. Marques, and F. Lépine
Phys. Rev. Lett. 111, 033001 (2013)
Duanjun Cai, M.A.L. Marques, and Fernando Nogueira
J. Phys. Chem. B 117, 13725-13730 (2013)
Fabien Bruneval, and M.A.L. Marques
J. Chem. Theory Comput. 9, 324 (2013)
L. Fernandez Seivane, H. Barrón, S. Botti, M.A.L. Marques, A. Rubio, and X. Lopez-Lozano
J. Mater. Res. 28, 240-249 (2013)
M. Amsler, J. Flores-Livas, M.A.L. Marques, S. Botti, and S. Goedecker
Eur. Phys. J. B 86, 383 (2013)
M. Amsler, S. Botti, M.A.L. Marques, and S. Goedecker
Phys. Rev. Lett. 111, 136101 (2013)
M. Marsili, S. Botti, M. Palummo, E. Degoli, O. Pulci, H-C. Weissker, M.A.L. Marques, S. Ossicini, and R. Del Sole
J. Phys. Chem. C 117, 14229-14234 (2013)
M.G. Vergniory, M.A.L. Marques, S. Botti, M. Amsler, S. Goedecker, E.V. Chulkov, A. Ernst, and A.H. Romero
Phys. Rev. Lett. 110, 129701 (2013)
R. Sarmiento-Pérez, T.F.T. Cerqueira, I. Valencia-Jaime, M. Amsler, S. Goedecker, S. Botti, M.A.L. Marques, and A.H. Romero
New J. of Phys. 15, 115007 (2013)
S. Botti, and M.A.L. Marques
Phys. Rev. Lett. 110, 226404 (2013)
S. Botti, M. Amsler, J.A. Flores-Livas, P. Ceria, S. Goedecker, and M.A.L. Marques
Phys. Rev. B 88, 014102 (2013)
T.D. Huan, M. Amsler, M.A.L. Marques, S. Botti, A. Willand, and S. Goedecker
Phys. Rev. Lett. 110, 135502 (2013)
T.F.T. Cerqueira, R. Sarmiento-Pérez, F. Trani, M. Amsler, S. Goedecker, M.A.L. Marques, and S. Botti
MRS Communications 3, 157-160 (2013)
A. Farhat, M. Korek, M.A.L. Marques, and S.N. Abdul-Al
Can. J. Chem. 90, 631-639 (2012)
A. Putaja, E. Räsänen, R. van Leeuwen, J.G. Vilhena, and M.A.L. Marques
Phys. Rev. B 85, 165101 (2012)
C.L. Benavides-Riveros, and J.C. Várilly
Eur. Phys. J. D 66, 274 (2012)
C.L. Benavides-Riveros, J.M. Gracia-Bondía, and J.C. Várilly
Phys. Rev. A 86, 022525 (2012)
D. Hapiuk, M.A.L. Marques, P. Melinon, J.A. Flores-Livas, S. Botti, and B. Masenelli
Phys. Rev. Lett. 108, 115903 (2012)
D. Kammerlander, S. Botti, M.A.L Marques, A. Marini, and C. Attaccalite
Phys. Rev. B 86, 125203 (2012)
J.A. Flores-Livas, L. Lehtovaara, M. Amsler, S. Goedecker, S. Pailhès, S. Botti, A. San Miguel, and M.A.L. Marques
Phys. Rev. B 85, 155428 (2012)
J.A. Flores-Livas, M. Amsler, T.J. Lenosky, L. Lehtovaara, S. Botti, M.A.L. Marques, and S. Goedecker
Phys. Rev. Lett. 108, 117004 (2012)
J.G. Vilhena, E. Räsänen L. Lehtovaara, and M.A.L. Marques
Phys. Rev. A 85, 052514 (2012)
L. Gutay, D. Regesch, J.K. Larsen, Y. Aida, V. Depredurand, A. Redinger, S. Caneva, S. Schorr, C. Stephan, J. Vidal, S. Botti, and S. Siebentritt
Phys. Rev. B 86, 045216 (2012)
M. Amsler, J.A. Flores-Livas, L. Lehtovaara, F. Balima, S.A. Ghasemi, D. Machon, S. Pailhès, A. Willand, D. Caliste, S. Botti, A. San Miguel, S. Goedecker, and M.A.L. Marques
Phys. Rev. Lett. 108, 065501 (2012)
M. Amsler, J.A. Flores-Livas, T.D. Huan. S. Botti, M.A.L. Marques, and S. Goedecker
Phys. Rev. Lett. 108, 205505 (2012)
M.A.L. Marques, M.J.T. Oliveira, and T. Burnus
Comput. Phys. Commun. 183, 2272-2281 (2012)
S. Botti, J.A. Flores-Livas, M. Amsler, S. Goedecker, and M.A.L. Marques
Phys. Rev. B (Rapid Comm.) 86, 121204(R) (2012)
U. De Giovannini, D. Varsano, M.A.L. Marques, H. Appel, E.K.U. Gross, and A. Rubio
Phys. Rev. A 85, 062515 (2012)
Xavier Andrade, Joseba Alberdi-Rodriguez, David A. Strubbe, Micael J.T. Oliveira, Fernando Nogueira, Alberto Castro, Javier Muguerza, Agustin Arruabarrena, Steven G. Louie, Alán Aspuru-Guzik, Angel Rubio, and M.A.L. Marques
J. Phys.: Condens. Matter 24, 233202 (2012)
D. Kammerlander, A. Castro, and M.A.L. Marques
Phys. Rev. A 83, 043413 (2011)
Duanjun Cai, M.A.L. Marques, and Fernando Nogueira
J. Phys. Chem. B 115, 329-332 (2011)
I. Aguilera, J. Vidal, P. Wahnón, L. Reining, and S. Botti
Phys. Rev. B 84, 085145 (2011)
J.A. Flores-Livas, R. Debord, S. Botti, A. San Miguel, M.A.L. Marques, and S. Pailhès
Phys. Rev. Lett. 106, 087002 (2011)
J.A. Flores-Livas, R. Debord, S. Botti, A. San Miguel, S. Pailhès, and M.A.L. Marques
Phys. Rev. B 84, 184503 (2011)
L. Lehtovaara, and M.A.L. Marques
J. Chem. Phys. 135, 014103 (2011)
M.A.L. Marques, J. Vidal, M.J.T. Oliveira, L. Reining, and S. Botti
Phys. Rev. B 83, 035119 (2011)
M.J.T. Oliveira, S. Botti, and M.A.L. Marques
Phys. Chem. Chem. Phys. 13, 15055-15061 (2011)
N. Helbig, J.I. Fuks, M. Casula, M.J. Verstraete, M.A.L. Marques, I. V. Tokatly, and A. Rubio
Phys. Rev. A 83, 032503 (2011)
S. Botti, D. Kammerlander, and M.A.L. Marques
Appl. Phys. Lett. 98, 241915 (2011)
S. Körbel, and C. Elsässer
Phys. Rev. B 84, 014109 (2011)
A.F. Reyes-Lega, and C.L. Benavides-Riveros
Found. Phys. 40, 1004 (2010)
Bruce F. Milne, M.A.L. Marques, and Fernando Nogueira
Phys. Chem. Chem. Phys. 12, 14285-14293 (2010)
D. Cai, M.A.L. Marques, B. F. Milne, and F. Nogueira
J. Phys. Chem. Lett. 1, 2781-2787 (2010)
D. Kammerlander, F. Troiani, and G. Goldoni
Phys. Rev. B 81, 115310 (2010)
F. Trani, J. Vidal, S. Botti, and M.A.L. Marques
Phys. Rev. B 82, 085115 (2010)
J. Vidal, F. Trani, F. Bruneval, M.A.L. Marques, and S. Botti
Phys. Rev. Lett. 104, 136401 (2010)
J. Vidal, S. Botti, P. Olsson, J-F. Guillemoles, and L. Reining
Phys. Rev. Lett. 104, 056401 (2010)
J.G. Vilhena, S. Botti, and M.A.L. Marques
Appl. Phys. Lett. 96, 123106 (2010)
M.J.T. Oliveira, Esa Räsänen, Stefano Pittalis, and M.A.L. Marques
J. Chem. Theory Comput. 6, 3664-3670 (2010)
N. N. Lathiotakis, S. Sharma, N. Helbig, J. K. Dewhurst, M.A.L. Marques, F. Eich, T. Baldsiefen, A. Zacarias, and E. K. U. Gross
Z. Phys. Chem. 224, 467-480 (2010)
S. Körbel, P. Marton, and C. Elsässer
Phys. Rev. B 81, 174115 (2010)
A. Castro, M.A.L. Marques, D. Varsano, F. Sottile, and A. Rubio
C. R. Physique 10, 469-490 (2009)
D. Varsano, L. A. Espinosa-Leal, X. Andrade, M.A.L. Marques, R. di Felice, and A. Rubio
Phys. Chem. Chem. Phys. 11, 4481-4489 (2009)
M.J.T. Oliveira, F. Nogueira, M.A.L. Marques, and Angel Rubio
J. Chem. Phys. 131, 214302 (2009)
N.N. Lathiotakis, S. Sharma, J.K. Dewhurst, F.G. Eich, M.A.L. Marques, and E.K.U. Gross
Phys. Rev. A 79, 040501(R) (2009)
S. Botti, A. Castro, N.N. Lathiotakis, X. Andrade, and M.A.L. Marques
Phys. Chem. Chem. Phys. 11, 4523-4527 (2009)
S. Botti, H.-C. Weissker, and M.A.L. Marques
Phys. Rev. B 79, 155440 (2009)
S. Pittalis, E. Räsänen, J.G. Vilhena, and M.A.L. Marques
Phys. Rev. A 79, 012503 (2009)
W. Welnic, M. Wuttig, S. Botti, and L. Reining
C.R. Physique 10, 514-527 (2009)
X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Cote, T. Deutsch, L. Genovese, Ph. Ghosez, M. Giantomassi, S. Goedecker, D. Hamann, P. Hermet, F. Jollet, G. Jomard, and M.J.T. Oliveira et al
Computer Physics Communications 180, 2582-2615 (2009)
A. Castro, M.A.L. Marques, A.H. Romero, M.J.T. Oliveira, and A. Rubio
J. Chem. Phys. 129, 144110 (2008)
M.A.L. Marques, and N.N. Lathiotakis
Phys. Rev. A 77, 032509 (2008)
M.J.T. Oliveira, Alberto Castro, M.A.L. Marques, and A. Rubio
J. Nanosci. Nanotechno. 8, 3392-3398 (2008)
Micael Oliveira, and Fernando Nogueira
Computer Physics Communications 178, 524-534 (2008)
N.N. Lathiotakis, and M.A.L. Marques
J. Chem. Phys. 128, 184103 (2008)
S. Botti, A. Castro, X. Andrade, A. Rubio, and M.A.L. Marques
Phys. Rev. B 78, 035333 (2008)
S. Pittalis, E. Räsänen, and M.A.L. Marques
Phys. Rev. B 78, 195322 (2008)
X. Gonze, C.-O. Almbladh, A. Cucca, D. Caliste, C. Freysoldt, M.A.L. Marques, V. Olevano, Y. Pouillon, and M.J. Verstraete
Comp. Mater. Sci. 43, 1056-1065 (2008)
D. Kammerlander, D. Prezzi, G. Goldoni, E. Molinari, and U. Hohenester
Phys. Rev. Lett. 99, 126806 (2007)
M.A.L. Marques, A. Castro, G. Malloci, G. Mulas, and S. Botti
J. Chem. Phys. 127, 014107 (2007)
S. Botti, and M.A.L. Marques
Phys. Rev. B 75, 035311 (2007)
S. Botti, A. Schindlmayr, R. Del Sole, and L. Reining
Rep. Prog. Phys. 70, 357-407 (2007)
W. Welnic, S. Botti, L. Reining, and M. Wuttig
Phys. Rev. Lett. 98, 236403 (2007)
X. Andrade, S. Botti, M.A.L. Marques, and A. Rubio
J. Chem. Phys. 126, 184106 (2007)
A. Castro, H. Appel, Micael Oliveira, C.A. Rozzi, X. Andrade, F. Lorenzen, M.A.L. Marques, E.K.U. Gross, and A. Rubio
Phys. Stat. Sol. B (also appeared in PsiK newsletter, Scientific Highlight of the Month, January) 243, 2465-2488 (2006)
A. Sanna, C. Franchini, A. Floris, G. Profeta, N.N. Lathiotakis, M. Lueders, M.A.L. Marques, E.K.U. Gross, A. Continenza, and S. Massidda
Phys. Rev. B 73, 144512 (2006)
D. Varsano, R. Di Felice, M.A.L. Marques, and A. Rubio
J. Phys. Chem. B 110, 7129-7138 (2006)
G. Profeta, C. Franchini, N.N. Lathiotakis, A. Floris, A. Sanna, M.A.L. Marques, M. Lüders, S. Massidda, E.K.U. Gross, and A. Continenza
Phys. Rev. Lett. 96, 047003 (2006)
M.A.L. Marques, M. d Avezac, and F. Mauri
Phys. Rev. B 73, 125433 (2006)
A. Floris, G. Profeta, N.N. Lathiotakis, M. Lueders, M.A.L. Marques, C. Franchini, E.K.U. Gross, A. Continenza, and S. Massidda
Phys. Rev. Lett. 94, 37004 (2005)
F. Bruneval, S. Botti, and L. Reining
Phys. Rev. Lett. 94, 219701 (2005)
F. Sottile, F. Bruneval, A. G. Marinopoulos, L. K. Dash, S. Botti, V. Olevano, N. Vast, A. Rubio, and L. Reining
Int. J. Quantum Chem. 102, 684 (2005)
M. Lüders, M.A.L. Marques, N.N. Lathiotakis, A. Floris, G. Profeta, L. Fast, A. Continenza, S. Massidda, and E.K.U. Gross
Phys. Rev. B 72, 024545 (2005)
M.A.L. Marques, and S. Botti
J. Chem. Phys. 123, 014310 (2005)
M.A.L. Marques, M. Lüders, N.N. Lathiotakis, G. Profeta, A. Floris, L. Fast, A. Continenza, E.K.U. Gross, and S. Massidda
Phys. Rev. B 72, 024546 (2005)
R. Caudillo, H.E. Troiani, M. Miki-Yoshida, M.A.L. Marques, A. Rubio, and M.J. Yacaman
Rad. Phys. Chem. 73, 334-339 (2005)
S. Botti, A. Fourreau, F. Nguyen, Y-O. Renault, F. Sottile, and L. Reining
Phys. Rev. B 72, 125203 (2005)
T. Burnus, M.A.L. Marques, and E.K.U. Gross
Phys. Rev. A (Rap. Comm.) 71, 10501 (2005)
X. Lopez, M.A.L. Marques, A. Castro, and A. Rubio
J. Am. Chem. Soc. 127, 12329-12337 (2005)
A. Castro, M.A.L. Marques, J. A. Alonso, G. F. Bertsch, and A. Rubio
Eur. Phys. J. D 28, 211-218 (2004)
A. Castro, M.A.L. Marques, and A. Rubio
J. Chem. Phys 121, 3425-3433 (2004)
Alberto Castro, M.A.L. Marques, Julio A. Alonso, and Angel Rubio
J. Comp. Theoret. Nanoscience 1, 231-255 (2004)
M.A.L. Marques, and E.K.U. Gross
Annu. Rev. Phys. Chem. 55, 427-455 (2004)
M.A.L. Marques, H.E. Troiani, M. Miki-Yoshida, M. Jose-Yacaman, and A. Rubio
Nano Lett. 4, 811-815 (2004)
S. Botti, F. Sottile, N. Vast, V. Olevano, L. Reining, H-Ch. Weissker, A. Rubio, G. Onida, R. Del Sole, and R.W. Godby
Phys. Rev. B 69, 155112 (2004)
S. Botti, N. Vast, L. Reining, V. Olevano, and L.C. Andreani
Phys. Rev. B 70, 045301 (2004)
H. E. Troiani, M. Miki-Yoshida, G. A. Camacho-Bragado, M.A.L. Marques, A. Rubio, J. A. Ascencio, and M. Jose-Yacaman
Nano Lett. 3, 751-755 (2003)
M.A.L. Marques, Alberto Castro, George F. Bertsch, and Angel Rubio
Comput. Phys. Commun. 151, 60-78 (2003)
M.A.L. Marques, Xabier Lopez, Daniele Varsano, Alberto Castro, and Angel Rubio
Phys. Rev. Lett. 90, 258101 (2003)
A. Castro, M.A.L. Marques, J. A. Alonso, G. F. Bertsch, K. Yabana, and A. Rubio
J. Chem. Phys. 116, 1930-1933 (2002)
S. Botti, N. Vast, L. Reining, V. Olevano, and L.C. Andreani
Phys. Rev. Lett. 89, 216803 (2002)
M.A.L. Marques, Alberto Castro, and Angel Rubio
J. Chem. Phys. 115, 3006-3014 (2001)
S. Botti, and L.C. Andreani
Phys. Rev. B 63, 2353133 (2001)
S. Botti, A. Rosso, R. Santachiara, and F. Tedoldi
Phys. Rev. B 63, 012409 (2001)
S. Kurth, M.A.L. Marques, M. Lueders, and E.K.U. Gross
Phys. Rev. Lett. 83, 2628 (1999)
L. Pollack, J. P. Perdew, J. He, M.A.L. Marques, F. Nogueira, and C. Fiolhais
Phys. Rev. B 55, 15544-15551 (1997)Portuguese Journals
M.A.L. Marques, and S. Botti
Gazeta de Física 29-4, 10-15 (2006)Proceedings
International Conferences
C.L. Benavides-Riveros
in "Barcelona Postgrad Encounters on Fundamental Physics", edited by D. Fernández, M. Fröb, I. Latella, and A. Dector, chapter 7 (Universitat de Barcelona, Barcelona), 69-80 (2013)
E. Rasanen, S. Pittalis, J.G. Vilhena, and M.A.L. Marques
Int. J. Quantum Chem. 110, 2308 (2010)
D. Kammerlander, D. Prezzi, G. Goldoni, E. Molinari, and U. Hohenester
Physica E: Low-dimensional Systems and Nanostructures Volume 40, Issue 6, April 2008, Pages 1997-1999, 1997 (2008)
A. Floris, A. Sanna, M. Luders, G. Profeta, N.N. Lathiotakis, M.A.L. Marques, C. Franchini, E.K.U. Gross, A. Continenza, and S. Massidda
Physica C 456, 45-53 (2007)
H. Vach, Q. Brulin, N. Chaabane, T. Novikova, P. Roca i Cabarrocas, B. Kalache, K. Hassouni, S. Botti, and L. Reining
Comp. Mater. Sci. 35, 216 (2006)
R. Caudillo, M. José-Yacaman, H. E. Troiani, M.A.L. Marques, and A. Rubio
in Carbon Nanotubes, ed. by V.N. Popov and P. Lambin, NATO Science Series II, Vol. 222, Springer, Berlin, 49-50 (2006)
A. Continenza, G. Profeta, A. Floris, C. Franchini, S. Massidda, N.N. Lathiotakis, M.A.L. Marques, M. Lüders, and E.K.U. Gross
Journal of Superconductivity 18, 649-652 (2005)
A. Castro, M.A.L. Marques, X. Lopez, D. Varsano, and A. Rubio
in Modeling and Simulating Materials Nanoworld, Vol.44, ed. by P. Vincenzini and F. Zerbetto, ISBN: 88-86538-47-2 (Techna Group, Faenza), 329-336 (2004)
D. Varsano, M.A.L. Marques, and A. Rubio
Computational Materials Science 30, 110-115 (2004)
M.A.L. Marques, and E.K.U. Gross
Proceedings of the International School of Physics "Enrico Fermi", Course CLVII: The electron liquid paradigm in condensed matter physics, ed. by G.F. Giuliani and G. Vignale, 127-167 (2004)
N.N. Lathiotakis, M.A.L. Marques, M. Lueders, and E.K.U. Gross
Int. J. Quant. Chem. 99, 790-797 (2004)
S. Botti
Physica Scripta T109, 54 (2004)
E.K.U. Gross, M.A.L. Marques, M. Lueders, and L. Fast
Density-Functional Theory and its Applications to Materials, Vic Van Doren, ed(s), American Institute of Physics CP 577, 177-182 (2001)
K. Capelle, M.A.L. Marques, and E. K. U. Gross
Condensed Matter Theories (Nova, New York) 16, 253 (2001)
M.A.L. Marques, K. Capelle, and E.K.U. Gross
Physica C 317-318, 508-510 (1999)Communications
Invited
S. Botti
Premières rencontres françaises sur les kesterites pour le photovoltaïque, EDF-Châtou, 13-14/6/2013 (2013)
M.A.L. Marques
APS March Meeting 2012, Session Q35: Focus Session: DFT VI: New Functional Developments, 29/02 (2012)
S. Botti
CFCAM Meeting "Numerical methods and mathematical approaches for solar devices", INRIA (Paris), 05/09/2012 (2012)
S. Botti
5th International School "Time-Dependent Density Functional Theory: prospects and applications", Benasque, Spain, 8/1/2012 (2012)
S. Botti
Theory and computation of electronic structure: new frontiers
Symposium @ DPG Spring Meeting, Dresden, Germany, 17/3/2011 (2011)
M.A.L. Marques
MORE 2010 - Meeting on Optical Response in Extended Systems, Vienna, Austria, 3-5/11/2010 (2010)
S. Botti
4th International Workshop “Time dependent Density-Functional Theory: Prospects and Applications”, Benasque, Spain, 11/1/2012 (2010)
S. Botti
Meeting MaProSu, Toulouse, France, 13/12/2010 (2010)
S. Botti
4th International School "Time-Dependent Density Functional Theory: prospects and applications", Benasque, Spain, 2/1/2010 (2010)
S. Botti
“Psi_k-2010” Conference (Symposium Solar Energy Conversion and Harvesting) held in Berlin (Germany), September 14 (2010)
S. Botti
Workshop “Self-consistent Green`s function methods", Espace de Structure Nucléaire Théorique (CEA/SPhN), Gif-sur-Yvette, France,
9/9/2010 (2010)
M.A.L. Marques
ABINIT 2009 - 4th developer workshop, organized by P. Blaise et al., Autrans (France) 24-27/3/2009 (2009)
S. Botti
Workshop “Computational Nanoscience for Renewable Energy Solutions”, Helsinki, Finland, 14/9/2009 (2009)
S. Botti
“French-American Young Engineering Scientists Symposium 2009”, Synchrotron Soleil, France, 16/11/2009 (2009)
S. Botti
3rd International Workshop “Time dependent Density-Functional Theory: Prospects and Applications”, Benasque, Spain, 12/9/2008 (2008)
S. Botti
CECAM Workshop “Critical materials issues in photovoltaics: searching for solutions via theory and simulations” CECAM-EPFL, Lausanne, Switzerland, 3/6/2008 (2008)
M.A.L. Marques
12th Nanoquanta Workshop on Electronic Excitations, organized by Valerio Olevano et al. Aussois, France, 18-22/07/2007 (2007)
M.A.L. Marques
Time-Dependent Density Functional Theory - Gordon Research Conference, C. Ullrich and K. Burke (chairs), Colby College, Maine, 15-20/7/2007 (2007)
M.A.L. Marques
Summer school on Ab-initio Many-Body Theory, organized by Angel Rubio, et al. San Sebastián, Spain, 22-29/07/2007 (2007)
S. Botti
Intensive training unit “Electronic excitations in materials and in nano-structures: theoretical methods, algorithms and computer tools”, Queens University of Belfast, UK, 26-28/6/2007 (2007)
S. Botti
2nd International Workshop “Time dependent Density-Functional Theory: Prospects and Applications”, Benasque, Spain, 7-11/9/2006 (2006)
M.A.L. Marques
Mini-workshop on TDDFT, organized by F. Nogueira. Departamento de Física da Universidade de Coimbra, Portugal, 6/5/2005 (2005)
M.A.L. Marques
Psi-k Conference 2005, organized by R. Nieminen et al. Schwäbisch Gmünd, Germany. 17-21/09/2005 (2005)
S. Botti
Mini-workshop TDDFT, Coimbra, Portugal, 6/5/2005 (2005)
S. Botti
Atelier synthèse et traitement de nano-particules par plasmas basse pression, Gif sur Yvette, France, 22/11/2005 (2005)
M.A.L. Marques
International Workshop on Time-Dependent Density Functional Theory, organized by M.A.L. Marques, F. Nogueira, and A. Rubio. Benasque, Spain, 09/09/2004 (2004)
M.A.L. Marques
International Workshop on Computational Physics and Materials Science, organized by L. Reining, N. Vast, and V. Olevano. Gif sur Yvette, 8-10/1/2004 (2004)
M.A.L. Marques
Meeting of the SFB 450: Analysis and control of ultra-fast photo-induced reactions. Freie-Universität Berlin, Germany, 20/04/2004 (2004)
M.A.L. Marques
EXCITING meeting, organized by Niels E. Christensen. Aarhus, Denmark, 13-15/4/2004 (2004)
M.A.L. Marques
Quarto Fórum Internacional de Investigadores Portugueses, organized by Irene Fonseca et al. Coimbra, Portugal, 12/07/2004 (2004)
M.A.L. Marques, T. Burnus, and E.K.U. Gross
EXC!TiNG workshop, organized by X. Gonze, G.-M. Rignanese and Y.-M. Niquet. Louvain-la-Neuve, Belgium, 14-16/4/2003 (2003)
S. Botti
DFT beyond the ground state: Exciting Summer School, Riksgränsen, Sweden, 26/6/2003 (2003)
S. Botti
Special Workshop of Marie Curie Fellows: Research and Training in Physics and Technology, CERN, Geneve, Suisse, 3/10/2002 (2002)
S. Botti
CECAM workshop: Ab initio Theoretical Approaches to the Electronic Structure and Optical Spectra of Materials, Lyon, France, 25/9/2002 (2002)Oral
S. Botti
Demi-Journée Matériaux et Énergies, Institut Lumière Matière, 14/11/2013 (2013)
S. Botti
2nd TYC Energy Materials Workshop held at King’s College in London, UK, 08/06/2012. (2012)
S. Botti
Annual Meeting of the GDR Thermoelectricity, Lyon, France, 06/12/2012 (2012)
S. Botti
17th ETSF-workshop on Electronic Excitations, Coimbra, Portugal, 3/10/2012 (2012)
Fabio Trani, Julien Vidal, Fabien Bruneval, Miguel A. L. Marques, and Silvana Botti
TCM 2010 3nd International Symposium on Transparent Conductive Materials, 17 - 21 October, 2010 Analipsi / Hersonissos, Crete, Greece (2010)
M.A.L. Marques
GDR-DFT - Fonctionnelle de la densité: de la molécule aux matériaux et systèmes complexes (2005)
S. Botti
Psi_k Confernce 2005, Schwäbisch Gmünd, Germany, 21/09/2005 (2005)
M.A.L. Marques, X. Lopez, D. Varsano, A. Castro, and A. Rubio
NANOEXC2004, organized by M. Palummo, O. Pulci, and R. Del Sole. Acquafredda di Maratea, Italy, 22/09/2004 (2004)
M.A.L. Marques, T. Burnus, and E.K.U. Gross
10th International Conference on the Applications of Density Functional Theory in Chemistry and Physics, organized by P. Geerlings, et al. Brussels, Belgium, 7-12/9/2003 (2003)
M.A.L. Marques A. Castro, and A. Rubio
CECAM workshop Open Source Software for Microscopic Calculations, organized by X. Gonze, G. Zerah, K.W. Jacobsen, and K. Hinsen. Lyon, France, 19-21/6/2002 (2002)Poster
M.J.T. Oliveira, F. Nogueira, M.A.L. Marques, and Angel Rubio
6th NQ-ETSF Young Researchers Meeting
Berlin, June 2-6 (2009)
N.N. Lathiotakis, N. Helbig, M.A.L. Marques, A. Zacarias, S. Sharma, and E.K.U. Gross
12th International Conference on the Applications of Density Functional Theory, organized by A. Bencini, et al. Amsterdam, The Netherlands, 26-30/08/2007 (2007)
M.A.L. Marques, Xabier Lopez, Alberto Castro, and Angel Rubio
GDR-DFT - Fonctionnelle de la densité: de la molécule aux matériaux et systèmes complexes (2005)
M.A.L. Marques, A. Castro, and A. Rubio
EXC!TiNG Summer School, organized by T. Andersen. Riksgränsen, Sweden, 22-30/6/2003 (2003)Seminars
Alberto Castro
(2019)
M.A.L. Marques
Nanobio Spectroscopy Group, San Sebastián, Spain, 03/06/2013 (2013)
Silvana Botti, and Miguel Marques
AMU, Domaine Universitaire de Saint Jérôme Case 231 - 13397, Marseille, France, 6/9/2013 (2013)
Silvana Botti, and Miguel Marques
AMU, Domaine Universitaire de Saint Jérôme Case 231 - 13397, Marseille, France, 6/9/2013 (2013)
M.A.L. Marques
Second les Houches school in computational physics, les Houches, 20/06/2012 (2012)
S. Botti
Group seminar MPI Halle, Germany, 31/7/2012 (2012)
S. Botti
Seminar at Laboratory for Photovoltaics, Luxembourg, 6/3/2012 (2012)
S. Botti
Institut Néel, Grenoble, 15/06/2012 (2012)
M.A.L. Marques
Theory Seminars at Fritz-Haber Institut, Berlin, 22/07/10 (2010)
M.A.L. Marques
seminar at the Max-Planck-Institut für Festkörperforschung, 18/11/2010 (2010)
S. Botti
Physics Department of the University of Coimbra, Portugal, 17/2/2010 (2010)
S. Botti
Theory Seminars at Fritz-Haber Institut, Berlin (Germany), 15/7/2010 (2010)
S. Botti
Seminaires du LASIM, Lyon, France, 21/10/2010 (2010)
S. Botti
DIPC Seminars, San Sebastian, Spain, 19/6/2009 (2009)
S. Botti
Seminares du IEMN, Lille, France, 14/3/2008 (2008)
S. Botti
Seminaires du LPMCN, Université Lyon 1, Lyon, France, 23/3/2008 (2008)
M.A.L. Marques
Université Pierre et Marie Curie, Paris VI, France, 29/10/2004 (2004)Thesis
C.L. Benavides-Riveros
Universidad de Zaragoza (PhD thesis) (2015)
Julien Vidal
(2010)
S. Botti
Mémoire de Habilitation à Diriger des Recherches,
Université Claude Bernard - Lyon 1 (2010)
M.A.L. Marques
Habilitation à Diriger des Recherches, Université Claude Bernard - Lyon 1 (2009)
Micael Oliveira
Ph. D. thesis, University of Coimbra (2008)
S. Botti
Ph.D. thesis, University of Pavia, Italy (2002)
M.A.L. Marques
Ph. D. thesis, University of Würzburg (2000)Report
C.L. Benavides-Riveros, E.K.U. Gross, M.A.L. Marques, and C. Schilling
Psi-k Network October (2017)
Amaury Mavel
Rapport de Stage de M2 (2013)
Bertrand Baurens
Rapport de Stage de M1 (2010)
Woyten Tielesch
Rapport de Stage de M2 (2010)Other
Xavier Andrade, Joseba Alberdi-Rodriguez, David A. Strubbe, Micael J.T. Oliveira, Fernando Nogueira, Alberto Castro, Javier Muguerza, Agustin Arruabarrena, Steven G. Louie, Alán Aspuru-Guzik, Angel Rubio, and M.A.L. Marques
PsiK newsletter, Scientific Highlight of the Month, April (2012)
A. Rubio, and M.A.L. Marques
Phys. Chem. Chem. Phys. 11, 4436-4436 (2009)
X. Gonze, C.-O. Almbladh, A. Cucca, D. Caliste, C. Freysoldt, M.A.L. Marques, V. Olevano, Y. Pouillon, and M.J. Verstraete
PsiK newsletter, Scientific Highlight of the Month, October (2007)
C.L. Benavides-Riveros, and G. Téllez
Rev. Col. Fis. 38, 453-456 (2006)
M. Lüders, M.A.L. Marques, A. Floris, G. Profeta, N.N. Lathiotakis, C. Franchini, A. Sanna, A. Continenza, S. Massidda, and E.K.U. Gross
PsiK newsletter, Scientific Highlight of the Month, August (2006)