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2013 [LaTeX]

Books

Chapters of Books

1 - Electronic excitations in solar cells from GW approaches
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)

Papers

International Journals

2 - Strong renormalization of the electronic band gap due to lattice polarization in the GW formalism
S. Botti, and M.A.L. Marques
Phys. Rev. Lett. 110, 226404 (2013)

3 - Benchmarking the starting points of the GW approximation for molecules
Fabien Bruneval, and M.A.L. Marques
J. Chem. Theory Comput. 9, 324 (2013)

4 - Atomic and electronic properties of quasi-one-dimensional MoS2 nanowires
L. Fernandez Seivane, H. Barrón, S. Botti, M.A.L. Marques, A. Rubio, and X. Lopez-Lozano
J. Mater. Res. 28, 240-249 (2013)

5 - Low-Energy Polymeric Phases of Alanates
T.D. Huan, M. Amsler, M.A.L. Marques, S. Botti, A. Willand, and S. Goedecker
Phys. Rev. Lett. 110, 135502 (2013)

6 - Electronic Structure with Spin Orbit Calculations of the Low-Lying Electronic States of the Molecule YS
A. Farhat, M. Korek, S.N. Abdul-Al, and M.A.L Marques
Chem. Phys. 412, 109-116 (2013)

7 - The crystal structure of the p-type transparent conductive oxide CuBO2
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)

8 - Comment on "Topological insulators in ternary compounds with honeycomb lattice"
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)

9 - Probing Time-Dependent Molecular Dipoles on the Attosecond Timescale
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)

10 - Prediction of a novel monoclinic carbon allotrope
M. Amsler, J. Flores-Livas, M.A.L. Marques, S. Botti, and S. Goedecker
Eur. Phys. J. B 86, 383 (2013)

11 - Ab-initio electronic gaps of Ge nanodots: the role of self-energy effects
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)

12 - Physical Wigner functions
C.L. Benavides-Riveros, and J.M. Gracia-Bondía
Phys. Rev. A 87, 022118 (2013)

13 - Full Color Modulation of Firefly Luciferase through Engineering with Unified Stark Effect
Duanjun Cai, M.A.L. Marques, and Fernando Nogueira
J. Phys. Chem. B 117, 13725-13730 (2013)

14 - Quasipinning and entanglement in the lithium isoelectronic series
C.L. Benavides-Riveros, J.M. Gracia-Bondía, and M. Springborg
Phys. Rev. A 88, 022508 (2013)

15 - Sodium-gold binaries: novel structures for ionic compounds from ab initio structural search
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)

16 - Conducting boron sheets formed by the reconstruction of the α-boron (111) surface
M. Amsler, S. Botti, M.A.L. Marques, and S. Goedecker
Phys. Rev. Lett. 111, 136101 (2013)

17 - Carbon structures and defect-planes in diamond at high pressure
S. Botti, M. Amsler, J.A. Flores-Livas, P. Ceria, S. Goedecker, and M.A.L. Marques
Phys. Rev. B 88, 014102 (2013)

Proceedings

International Conferences

18 - Entanglement and correlation energy in the lowest excited configuration of harmonium
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)

Communications

Invited

19 - Electronic excitations in CZTS from first-principles
S. Botti
Premières rencontres françaises sur les kesterites pour le photovoltaïque, EDF-Châtou, 13-14/6/2013 (2013)

Oral

20 - Designing and understanding novel materials for energy
S. Botti
Demi-Journée Matériaux et Énergies, Institut Lumière Matière, 14/11/2013 (2013)

Seminars

21 - Predicting new materials from first principles (and their properties)
M.A.L. Marques
Nanobio Spectroscopy Group, San Sebastián, Spain, 03/06/2013 (2013)

22 - Electronic excitations in CZTS from first-principles (II)
Silvana Botti, and Miguel Marques
AMU, Domaine Universitaire de Saint Jérôme Case 231 - 13397, Marseille, France, 6/9/2013 (2013)

23 - Electronic excitations in CZTS from first-principles (I)
Silvana Botti, and Miguel Marques
AMU, Domaine Universitaire de Saint Jérôme Case 231 - 13397, Marseille, France, 6/9/2013 (2013)

Thesis

Report

24 - Recherche d’hydrures de chlore stables sous pression
Amaury Mavel
Rapport de Stage de M2 (2013)