Seguir
Santanu Saha
Santanu Saha
Postdoc, Department of Physics, University of Oxford
Dirección de correo verificada de physics.ox.ac.uk
Título
Citado por
Citado por
Año
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), 2016
1388*2016
Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network
SA Ghasemi, A Hofstetter, S Saha, S Goedecker
Physical Review B 92 (4), 045131, 2015
2332015
The Elephant in the Room of Density Functional Theory Calculations
SR Jensen, S Saha, JA Flores-Livas, W Huhn, V Blum, S Goedecker, ...
The Journal of Physical Chemistry Letters 8 (7), 1449-1457, 2017
1272017
Preparation, structural and magnetic studies on BiFe1-xCrxO3 (x= 0.0, 0.05 and 0.1) multiferroic nanoparticles
S Layek, S Saha, HC Verma
AIP Advances 3 (3), 2013
472013
Stable structures of exohedrally decorated C60-fullerenes
DS De, JA Flores-Livas, S Saha, L Genovese, S Goedecker
Carbon 129, 847-853, 2018
312018
Characterization of individual molecular adsorption geometries by atomic force microscopy: Cu-TCPP on rutile TiO2 (110)
R Jöhr, A Hinaut, R Pawlak, A Sadeghi, S Saha, S Goedecker, B Such, ...
The Journal of chemical physics 143 (9), 094202, 2015
312015
High-temperature conventional superconductivity in the boron-carbon system: Material trends
SS Saha, W von der Linden, L Boeri
Phys Rev B. 102.024519, 2020
232020
Surface reconstruction of fluorites in vacuum and aqueous environment
G Fisicaro, M Sicher, M Amsler, S Saha, L Genovese, S Goedecker
Physical Review Materials 1 (3), 033609, 2017
192017
Metastable exohedrally decorated Borospherene B 40
S Saha, L Genovese, S Goedecker
Scientific Reports 7 (1), 7618, 2017
192017
Understanding the degradation of methylenediammonium and its role in phase-stabilizing formamidinium lead triiodide
EA Duijnstee, BM Gallant, P Holzhey, DJ Kubicki, S Collavini, BK Sturdza, ...
Journal of the American Chemical Society 145 (18), 10275-10284, 2023
162023
Zwitterions in 3D Perovskites: Organosulfide-Halide Perovskites
J Li, Z Chen, S Saha, JK Utterback, ML Aubrey, R Yuan, HL Weaver, ...
Journal of the American Chemical Society 144 (49), 22403-22408, 2022
132022
Structure and Optical Properties of Small (TiO2)n Nanoparticles, n = 21 − 24
RB Wang, S Körbel, S Saha, S Botti, NV Skorodumova
The Journal of Physical Chemistry C, 2017
92017
Fused borophenes: A new family of superhard light-weight materials
S Saha, W von der Linden, L Boeri
Physical Review Materials 5 (8), L080601, 2021
72021
Mapping superconductivity in high-pressure hydrides: The superhydra project
S Saha, S Di Cataldo, F Giannessi, A Cucciari, W von der Linden, L Boeri
Physical Review Materials 7 (5), 054806, 2023
62023
GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK
SR Jensen, S Saha, JA Flores-Livas, W Huhn, V Blum, S Goedecker, ...
https://dataverse.no/dataset.xhtml?persistentId=doi:10.18710/0EM0EL, 2017
52017
Importance of feature engineering and database selection in a machine learning model: A case study on carbon crystal structures
FM Rohrhofer, S Saha, S Di Cataldo, BC Geiger, W von der Linden, ...
arXiv preprint arXiv:2102.00191, 2021
32021
Soft and accurate norm conserving pseudopotentials and their application for structure prediction
S Saha
University_of_Basel, 2017
32017
Influence of an external electric field on the potential-energy surface of alkali-metal-decorated
DS De, S Saha, L Genovese, S Goedecker
Physical Review A 97 (6), 063401, 2018
22018
Eliminating Core Electrons in Electronic Structure Calculations: Pseudopotentials and PAW Potentials
S Goedecker, S Saha
Handbook of Solid State Chemistry, 29-58, 2017
12017
HEX: High-pressure Elemental Xstals, a complete Database
F Giannessi, S Di Cataldo, S Saha, L Boeri
arXiv preprint arXiv:2403.09587, 2024
2024
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
Artículos 1–20