Scientific Interests
This is my old web page. Visit my present web page at the IFTO Friedrich-Schiller University Jena 1 - Electronic excitations in solar cells from GW approaches 2 - The microscopic description of a macroscopic experiment 3 - Fullerene-like CdSe nanoparticles 4 - Symmetry properties of two-dimensional photonic crystals 5 - First Principles Approaches to Spectroscopic Properties of Complex Materials 6 - First-principles identification of single photon emitters based on carbon clusters in hexagonal boron nitride 7 - Band gap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals 8 - A high-throughput study of oxynitride, oxyfluoride and nitrofluoride perovskites 9 - Finding new crystalline compounds using chemical similarity 10 - Crystal-graph attention networks for the prediction of stable materials 11 - Iodine molecule modifications with high pressure 12 - Direct insight into the structure-property relation of interfaces from constrained crystal structure prediction 13 - Point defects in hexagonal silicon 14 - A Global-optimization Study of the Phase Diagram of Free-standing Hydrogenated Two-dimensional Silicon 15 - Defect levels from SCAN and MBJ meta-GGA exchange-correlation potentials 16 - Electronic structure of molecules, surfaces, and molecules on surfaces with the local modified Becke-Johnson exchange-correlation potential 17 - Novel two-dimensional silicon–carbon binaries by crystal structure prediction 18 - Validation of pseudopotential calculations for the electronic band gap of solids 19 - Exchange-correlation functionals for band gaps of solids: Benchmark, reparametrization and machine learning 20 - Local modified Becke-Johnson exchange-correlation potential for interfaces, surfaces, and two-dimensional materials 21 - Accurate electronic band gaps of two-dimensional materials from the local modified Becke-Johnson potential 22 - On the calculation of the band gap of periodic solids with MGGA functionals using the total energy 23 - Mechanism of surface passivation of methylammonium lead tribromide single crystals by benzylamine 24 - Double perovskites as p-type conducting transparent
semiconductors: A high-throughput search 25 - Recent advances and applications of machine learning in solid-state materials science 26 - Rare-earth magnetic nitride perovskites 27 - Computational acceleration of prospective dopant discovery in cuprous iodide 28 - Structural prediction of stabilized atomically-thin tin layers 29 - Large-scale benchmark of exchange-correlation functionals for the determination of electronic band gaps of solids 30 - Stable Ordered Phases of Cuprous Iodide with Complexes of Copper Vacancies 31 - Predicting the stability of ternary intermetallics with density
functional theory and machine learning 32 - Nitrogen-hydrogen-oxygen ternary phase diagram: New phases at high pressure from structural prediction 33 - The ground state of two-dimensional silicon 34 - Local hybrid density functional for interfaces 35 - Stable hybrid organic-inorganic halide perovskites for
photovoltaics from ab-initio high-throughput calculations 36 - Size-dependent optical absorption of Cu2ZnSn(Se,S)4 quantum dot sensitizers from ab initio many-body methods 37 - High-pressure phases of VO2 from the combination of Raman scattering and ab initio structural search 38 - From mesoscale to nanoscale mechanics in single-wall
carbon nanotubes 39 - Anisotropic layered Bi2Te3-In2Te3 composites: control of interface density for tuning of thermoelectric properties 40 - Predicting the thermodynamic stability of solids combining density functional theory and machine learning 41 - High-throughput search of ternary chalcogenides for p-type transparent electrodes 42 - Structural prediction of two-dimensional materials under strain 43 - Pressure-induced radial collapse in few-wall carbon
nanotubes: A combined theoretical and experimental
study 44 - Radial collapse of carbon nanotubes for conductivity
optimized polymer composites 45 - Topological Crystalline Insulator in a New Bi Semiconducting Phase 46 - Novel crystal structures for lithium-silicon alloy predicted by minima
hopping method 47 - Investigation of new phases in the Ba–Si phase diagram under high pressure using ab initio structural search 48 - Stable single-phase Zn-rich Cu2ZnSnSe4 through In doping 49 - Stability and electronic properties of new
inorganic perovskites from high-throughput ab
initio calculations 50 - Rigamonti et al. Reply: Estimating Excitonic Effects in the Absorption Spectra of Solids: Problems and Insight from a Guided Iteration Scheme 51 - Prediction and synthesis of a non-Zintl silicon clathrate 52 - Nanostructured water and carbon dioxide inside collapsing carbon nanotubes at high pressure 53 - Superconductivity in an expanded phase of ZnO: an ab initio study 54 - Low-density silicon allotropes for photovoltaic applications 55 - Optimized Exchange and Correlation Functional for the Calculation of Energies of Formation 56 - Novel phases of lithium-aluminum binaries from first-principles structural search 57 - Prediction of Stable Nitride Perovskites 58 - Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent GW and the Bethe-Salpeter equation 59 - Estimating Excitonic Effects in the Absorption Spectra of Solids: Problems and Insight from a Guided Iteration Scheme 60 - Detection of novel Cu2Zn5SnSe8 and Cu2Zn6SnSe9 phases in co-evaporated Cu2ZnSnSe4 thin-films 61 - Materials design on-the-fly 62 - Identification of novel Cu, Ag, and Au ternary oxides from global structural prediction 63 - Comment on “Towards Direct-Gap Silicon Phases by the Inverse Band Structure
Design Approach” 64 - Band alignment and local structure of CIGS alloys from combining X-ray
absorption spectroscopy and ab initio calculations 65 - Benchmark Many-Body GW and Bethe-Salpeter calculations for small transition-metal molecules 66 - Novel structural motif in low energy phases of NaSc(BH4)4 67 - Density-functional tight-binding study of the collapse of
Carbon Nanotubes under hydrostatic pressure 68 - Atomic and electronic properties of quasi-one-dimensional MoS2 nanowires 69 - Prediction of a novel monoclinic carbon allotrope 70 - Conducting boron sheets formed by the reconstruction of the α-boron (111) surface 71 - Ab-initio electronic gaps of Ge nanodots: the role of self-energy effects 72 - Comment on "Topological insulators in ternary compounds with honeycomb lattice" 73 - Sodium-gold binaries: novel structures for ionic compounds from ab initio
structural search 74 - Strong renormalization of the electronic band gap due to lattice polarization in the GW formalism 75 - Carbon structures and defect-planes in diamond at high pressure 76 - Low-Energy Polymeric Phases of Alanates 77 - The crystal structure of the p-type transparent conductive
oxide CuBO2 78 - p-doping in expanded phases of ZnO: An ab initio study 79 - Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation 80 - Raman activity of sp3 carbon allotropes under pressure: A density
functional theory study 81 - High pressure structures of disilane and their superconducting properties 82 - Feedback mechanism for the stability of the band gap of CuInSe2 83 - The crystal structure of cold compressed graphite 84 - Novel structural motifs in low energy phases of LiAlH4 85 - Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications 86 - First-principles study of the band structure and optical absorption of CuGaS2 87 - Enhancing the superconducting transition temperature of BaSi2 by structural tuning 88 - Superconductivity in Layered Binary Silicides: A density functional theory study 89 - Density-based mixing parameter for hybrid functionals 90 - Modeling van der Waals interactions between proteins and inorganic
surfaces from time-dependent density functional theory calculations 91 - Band structures of Cu2ZnSnS4 and Cu2ZnSnSe4 from many-body methods 92 - Band structures of delafossite transparent conductive oxides from a self-consistent GW approach 93 - Effects of electronic and lattice polarization on the band-structure of delafossite transparent conductive oxides 94 - Strong interplay between structure and electronic properties in CuIn(S,Se)2: a first-principles study 95 - Excitonic effects in the optical properties of CdSe nanowires 96 - Optical and magnetic properties of boron fullerenes 97 - Alloying effects on the optical properties of Ge1-xSix nanocrystals from TDDFT and comparison with effective-medium theory 98 - Local atomic order and optical properties in amorphous and laser-crystallized GeTe 99 - Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces 100 - Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to
polycyclic aromatic hydrocarbons 101 - Identification of CdSe fullerene-like nanoparticles from optical spectroscopy calculations 102 - Time-dependent density-functional theory for extended systems 103 - Origin of the optical contrast in phase change materials 104 - A time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities 105 - Comment on "Quantum confinement and electronic properties of silicon nanowires" 106 - TDDFT from molecules to solids: the role of long-range interactions 107 - The planar-to-tubular structural transition in boron clusters from optical absorption 108 - Energy dependence of the exchange-correlation kernel of time-dependent density functional theory 109 - Long range contribution to the exchange-correlation kernel of time-dependent density functional theory 110 - Ab initio and semi-empirical dielectric response of superlattices 111 - Ab initio calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices 112 - Electronic states and optical properties of GaAs/AlAs and GaAs/vacuum superlattices by the linear combination of bulk bands method 113 - On-site magnetization in open antiferromagnetic chains: a classical analysis versus NMR experiments in a spin-1 compound 114 - O que É a Teoria dos Funcionais da Densidade? 115 - Growth dynamics of hydrogenated silicon nanoparticles under realistic conditions of a plasma reactor 116 - Applications of time dependent density functional theory 117 - Electronic excitations in CZTS from first-principles 118 - Electronic excitations in materials for photovoltaics 119 - Theoretical Spectroscopy 120 - Electronic excitations in thin-film materials for solar cells: beyond standard density functional theory 121 - The electronic structure of delafossite transparent conductive oxides 122 - Theoretical Spectroscopy 123 - Electronic excitations in thin-film solar cells: beyond standard density functional theory 124 - Electronic excitations in thin-film solar cells from restricted self-consistent GW 125 - Electronic properties of materials for thin-film solar cells:
Which ab initio approaches can we trust? 126 - Electronic properties of CIGS materials for photovoltaic conversion:
self-consistent GW calculations 127 - Electronic properties of materials for thin-film solar cells:
Which ab initio approaches can we trust? 128 - Ab initio modeling of optoelectronic properties of chalcopyrites for photovoltaic conversion 129 - Photoelectronic properties of chalcopyrites for photovoltaic conversion 130 - How do rewritable DVDs work?
Optical properties of phase-change materials 131 - How do rewritable DVDs work?
Optical properties of phase-change materials 132 - TDDFT from clusters to solids 133 - Effets de la taille sur les propriétés des nano-particules 134 - Applications of TDDFT 135 - Ab inito calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices 136 - Ab inito calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices 137 - Designing and understanding novel materials for energy 138 - Electronic excitations in thin-film absorbers for photovoltaics 139 - Electronic excitations in Cu-based materials for thin-film solar cells 140 - State-of-the art ab initio calculations of electronic states and thermoelectric properties 141 - Effects of Electronic and Lattice Polarization on the Band Structure
of Delafossite Transparent Conductive Oxides 142 - The physics of CdSe nanocrystals: structural and optical properties from ab initio 143 - Electronic excitations in CZTS from first-principles (I) 144 - Electronic excitations in CZTS from first-principles (II) 145 - Electronic excitations in materials for solar cells 146 - Electronic excitations in materials for thin-film solar cells 147 - Electronic excitations in materials for photovoltaics 148 - Ab initio approaches to electronic excitations in materials for
thin-film solar cells 149 - Electronic properties of CIGS materials for photovoltaic conversion:
self-consistent GW calculations 150 - Electronic excitations in thin-film materials for solar cells: beyond standard density functional theory 151 - Electronic properties of materials for solar cells:
which ab initio approaches can we trust? 152 - Cluster-surface and cluster-cluster interactions: ab initio calculations and modelling of van der Waals forces 153 - Density-functional based study of nanomaterials: i) vdW interactions between nanocrystals and surfaces, ii) alloying effects in the optical properties of Si-Ge clusters 154 - Electronic excitations in complex systems: beyond density functional theory for real materials 155 - Semi-empirical and ab initio calculations of the optical properties of semiconductor superlatticesPublications [LaTeX]
Books
Chapters of Books
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)
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)
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)
C. Andreani, M. Agio, and S. Botti
Electrons and Photons in Solids
(Quaderni della Scuola Normale Superiore di Pisa, Pisa, Italy), 71 (2001)Edited
C. Di Valentin, S. Botti, and M. Cococcioni (Eds.)
Topics in Current Chemistry (Springer-Verlag Berlin Heidelberg) 347 (2014)Papers
International Journals
C. Jara, T. Rauch, S. Botti, M.A.L. Marques, A. Norambuena, R. Coto, J.R. Maze, and F. Munoz
J. Phys. Chem. A 125, 1325-1335 (2021)
F. Tran, J. Doumont, L. Kalantari, P. Blaha, T. Rauch, P. Borlido, S. Botti, M.A.L. Marques, A. Patra, S. Jana, and P. Samal
J. Chem. Phys. 155, 104103 (2021)
H.-C. Wang, J. Schmidt, S. Botti, and M.A.L. Marques
J. Mater. Chem. A 9, 8501-8513 (2021)
H.-C. Wang, S. Botti, and M.A.L. Marques
NPJ Comput. Mater. 7, 12 (2021)
J. Schmidt, L. Pettersson, C. Verdozzi, S. Botti, and M.A.L. Marques
Sci. Adv. 7, eabi7948 (2021)
J. Shi, S. Botti, M.A.L. Marques, T. Shinmei, T. Irifune, E. Fonda, A.-M. Flank, P. Lagarde, O. Mathon, V. Pischedda, A. Polian, J.-P. Itié, and A. San-Miguel
Phys. Chem. Chem. Phys. 23, 3321-3326 (2021)
L. Sun, M.A.L. Marques, and S. Botti
Nat. Comm. 12, 811 (2021)
L. Sun, M.R.G. Marques, M.A.L. Marques, and S. Botti
Phys. Rev. Mater. 5, 064605 (2021)
P. Borlido, M.A.L. Marques, and S. Botti
J. Phys. Chem. C 125, 6298-6305 (2021)
T. Rauch, F. Munoz, M.A.L. Marques, and S. Botti
Phys. Rev. B 104, 064105 (2021)
T. Rauch, M.A.L. Marques, and S. Botti
J. Chem. Theor. Comput. 17, 4746-4755 (2021)
P. Borlido, A.W. Huran, M.A.L. Marques, and S. Botti
Phys. Chem. Chem. Phys. (selected as 2020 HOT PCCP Article) 22, 8442-8449 (2020)
P. Borlido, J. Doumont, F. Tran, M.A.L. Marques, and S. Botti
J. Chem. Theor. Comput. 16, 3620-3627 (2020)
P. Borlido, J. Schmidt, A.W. Huran, F. Tran, M.A.L. Marques, and S. Botti
NPJ Comput. Mater. 6, 96 (2020)
T. Rauch, M.A.L. Marques, and S. Botti
J. Chem. Theor. Comput. 16, 2654-2660 (2020)
T. Rauch, M.A.L. Marques, and S. Botti
Phys. Rev. B 101, 245163 (2020)
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, 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 PCCP Article) 21, 18839-18849 (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)
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)
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)
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)
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)
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)
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)
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)
D. Hapiuk, M.A.L. Marques, P. Mélinon, J. A. Flores-Livas, S. Botti, and B. Masenelli
New J. Phys. 17, 043034 (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)
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, S. Botti, A. San Miguel, and M.A.L. Marques
Carbon 69, 355-360 (2014)
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)
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)
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)
S. Botti, J.A. Flores-Livas, M. Amsler, S. Goedecker, and M.A.L. Marques
Phys. Rev. B (Rapid Comm.) 86, 121204(R) (2012)
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)
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)
S. Botti, D. Kammerlander, and M.A.L. Marques
Appl. Phys. Lett. 98, 241915 (2011)
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)
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)
W. Welnic, M. Wuttig, S. Botti, and L. Reining
C.R. Physique 10, 514-527 (2009)
S. Botti, A. Castro, X. Andrade, A. Rubio, and M.A.L. Marques
Phys. Rev. B 78, 035333 (2008)
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)
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.A.L. Marques, and S. Botti
J. Chem. Phys. 123, 014310 (2005)
S. Botti, A. Fourreau, F. Nguyen, Y-O. Renault, F. Sottile, and L. Reining
Phys. Rev. B 72, 125203 (2005)
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)
S. Botti, N. Vast, L. Reining, V. Olevano, and L.C. Andreani
Phys. Rev. Lett. 89, 216803 (2002)
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)Portuguese Journals
M.A.L. Marques, and S. Botti
Gazeta de Física 29-4, 10-15 (2006)Proceedings
International Conferences
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)
S. Botti
Physica Scripta T109, 54 (2004)Communications
Invited
S. Botti
Premières rencontres françaises sur les kesterites pour le photovoltaïque, EDF-Châtou, 13-14/6/2013 (2013)
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)
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)
S. Botti
4th International Workshop “Time dependent Density-Functional Theory: Prospects and Applications”, Benasque, Spain, 11/1/2012 (2010)
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
CECAM Workshop “Critical materials issues in photovoltaics: searching for solutions via theory and simulations” CECAM-EPFL, Lausanne, Switzerland, 3/6/2008 (2008)
S. Botti
3rd International Workshop “Time dependent Density-Functional Theory: Prospects and Applications”, Benasque, Spain, 12/9/2008 (2008)
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)
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)
S. Botti
DFT beyond the ground state: Exciting Summer School, Riksgränsen, Sweden, 26/6/2003 (2003)
S. Botti
CECAM workshop: Ab initio Theoretical Approaches to the Electronic Structure and Optical Spectra of Materials, Lyon, France, 25/9/2002 (2002)
S. Botti
Special Workshop of Marie Curie Fellows: Research and Training in Physics and Technology, CERN, Geneve, Suisse, 3/10/2002 (2002)Oral
S. Botti
Demi-Journée Matériaux et Énergies, Institut Lumière Matière, 14/11/2013 (2013)
S. Botti
17th ETSF-workshop on Electronic Excitations, Coimbra, Portugal, 3/10/2012 (2012)
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)
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)
S. Botti
Psi_k Confernce 2005, Schwäbisch Gmünd, Germany, 21/09/2005 (2005)Seminars
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)
S. Botti
Seminar at Laboratory for Photovoltaics, Luxembourg, 6/3/2012 (2012)
S. Botti
Institut Néel, Grenoble, 15/06/2012 (2012)
S. Botti
Group seminar MPI Halle, Germany, 31/7/2012 (2012)
S. Botti
Theory Seminars at Fritz-Haber Institut, Berlin (Germany), 15/7/2010 (2010)
S. Botti
Physics Department of the University of Coimbra, Portugal, 17/2/2010 (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
Seminaires du LPMCN, Université Lyon 1, Lyon, France, 23/3/2008 (2008)
S. Botti
Seminares du IEMN, Lille, France, 14/3/2008 (2008)Thesis
S. Botti
Mémoire de Habilitation à Diriger des Recherches,
Université Claude Bernard - Lyon 1 (2010)
S. Botti
Ph.D. thesis, University of Pavia, Italy (2002)