Silvana Botti
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Recent advances and applications of machine learning in solid-state materials science
J Schmidt, MRG Marques, S Botti, MAL Marques
npj Computational Materials 5 (1), 83, 2019
Density-based mixing parameter for hybrid functionals
MAL Marques, J Vidal, MJT Oliveira, L Reining, S Botti
Physical Review B 83 (3), 035119, 2011
Crystal structure of cold compressed graphite
M Amsler, JA Flores-Livas, L Lehtovaara, F Balima, SA Ghasemi, ...
Physical review letters 108 (6), 065501, 2012
Long-range contribution to the exchange-correlation kernel of time-dependent density functional theory
S Botti, F Sottile, N Vast, V Olevano, L Reining, HC Weissker, A Rubio, ...
Physical Review B 69 (15), 155112, 2004
Time-dependent density-functional theory for extended systems
S Botti, A Schindlmayr, R Del Sole, L Reining
Reports on Progress in Physics 70 (3), 357, 2007
Predicting the thermodynamic stability of solids combining density functional theory and machine learning
J Schmidt, J Shi, P Borlido, L Chen, S Botti, MAL Marques
Chemistry of Materials 29 (12), 5090-5103, 2017
Stability and electronic properties of new inorganic perovskites from high-throughput ab initio calculations
S Körbel, MAL Marques, S Botti
Journal of Materials Chemistry C 4 (15), 3157-3167, 2016
Direct-bandgap emission from hexagonal Ge and SiGe alloys
EMT Fadaly, A Dijkstra, JR Suckert, D Ziss, MAJ Van Tilburg, C Mao, ...
Nature 580 (7802), 205-209, 2020
Origin of the optical contrast in phase-change materials
W Wełnic, S Botti, L Reining, M Wuttig
Physical review letters 98 (23), 236403, 2007
Strong Interplay between Structure and Electronic Properties in : A First-Principles Study
J Vidal, S Botti, P Olsson, JF Guillemoles, L Reining
Physical review letters 104 (5), 056401, 2010
Large-scale benchmark of exchange–correlation functionals for the determination of electronic band gaps of solids
P Borlido, T Aull, AW Huran, F Tran, MAL Marques, S Botti
Journal of chemical theory and computation 15 (9), 5069-5079, 2019
Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper) polarizabilities
X Andrade, S Botti, MAL Marques, A Rubio
The Journal of chemical physics 126 (18), 184106, 2007
Band structures of and from many-body methods
S Botti, D Kammerlander, MAL Marques
Applied Physics Letters 98 (24), 241915, 2011
Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications
S Botti, JA Flores-Livas, M Amsler, S Goedecker, MAL Marques
Physical Review B 86 (12), 121204, 2012
Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning
P Borlido, J Schmidt, AW Huran, F Tran, MAL Marques, S Botti
npj Computational Materials 6 (1), 96, 2020
High-pressure structures of disilane and their superconducting properties
JA Flores-Livas, M Amsler, TJ Lenosky, L Lehtovaara, S Botti, ...
Physical review letters 108 (11), 117004, 2012
Benchmark Many-Body GW and Bethe–Salpeter Calculations for Small Transition Metal Molecules
S Körbel, P Boulanger, I Duchemin, X Blase, MAL Marques, S Botti
Journal of chemical theory and computation 10 (9), 3934-3943, 2014
Effects of electronic and lattice polarization on the band structure of delafossite transparent conductive oxides
J Vidal, F Trani, F Bruneval, MAL Marques, S Botti
Physical Review Letters 104 (13), 136401, 2010
Prediction of stable nitride perovskites
R Sarmiento-Perez, TFT Cerqueira, S Körbel, S Botti, MAL Marques
Chemistry of Materials 27 (17), 5957-5963, 2015
First-principles study of the band structure and optical absorption of CuGaS 2
I Aguilera, J Vidal, P Wahnón, L Reining, S Botti
Physical Review B 84 (8), 085145, 2011
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