Obserwuj
Silvana Botti
Silvana Botti
RC-FEMS and Faculty of Physics, Ruhr University Bochum, Germany
Zweryfikowany adres z rub.de - Strona główna
Tytuł
Cytowane przez
Cytowane przez
Rok
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
19242019
Density-based mixing parameter for hybrid functionals
MAL Marques, J Vidal, MJT Oliveira, L Reining, S Botti
Physical Review B—Condensed Matter and Materials Physics 83 (3), 035119, 2011
4272011
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
3602020
Crystal structure of cold compressed graphite
M Amsler, JA Flores-Livas, L Lehtovaara, F Balima, SA Ghasemi, ...
Physical review letters 108 (6), 065501, 2012
3602012
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
3472017
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
3392016
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
2742007
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
2742004
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), 1-17, 2020
2622020
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
2582019
Origin of the optical contrast in phase-change materials
W Wełnic, S Botti, L Reining, M Wuttig
Physical review letters 98 (23), 236403, 2007
2062007
Strong Interplay between Structure and Electronic Properties in : <?format ?>A First-Principles Study
J Vidal, S Botti, P Olsson, JF Guillemoles, L Reining
Physical review letters 104 (5), 056401, 2010
1802010
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—Condensed Matter and Materials Physics 86 (12), 121204, 2012
1782012
Band structures of Cu2ZnSnS4 and Cu2ZnSnSe4 from many-body methods
S Botti, D Kammerlander, MAL Marques
Applied Physics Letters 98 (24), 2011
1592011
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), 2007
1582007
Roadmap on machine learning in electronic structure
HJ Kulik, T Hammerschmidt, J Schmidt, S Botti, MAL Marques, M Boley, ...
Electronic Structure 4 (2), 023004, 2022
1502022
Prediction of stable nitride perovskites
R Sarmiento-Perez, TFT Cerqueira, S Körbel, S Botti, MAL Marques
Chemistry of Materials 27 (17), 5957-5963, 2015
1432015
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
1212014
Crystal graph attention networks for the prediction of stable materials
J Schmidt, L Pettersson, C Verdozzi, S Botti, MAL Marques
Science advances 7 (49), eabi7948, 2021
1152021
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
1152012
Nie można teraz wykonać tej operacji. Spróbuj ponownie później.
Prace 1–20