Santanu Saha
Santanu Saha
Postdoc, Institute of Theoretical and Computational Physics, TU Graz
Verified email at tugraz.at - Homepage
Title
Cited by
Cited by
Year
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), 2016
847*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
1352015
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
752017
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), 032140, 2013
392013
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
272015
Stable structures of exohedrally decorated C60-fullerenes
DS De, JA Flores-Livas, S Saha, L Genovese, S Goedecker
Carbon 129, 847-853, 2018
192018
Metastable exohedrally decorated Borospherene B 40
S Saha, L Genovese, S Goedecker
Scientific Reports 7 (1), 7618, 2017
152017
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
142017
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
62017
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
52020
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
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
12021
Fused borophenes: a new family of superhard materials
S Saha, W von der Linden, L Boeri
arXiv preprint arXiv:2101.10013, 2021
12021
Soft and accurate norm conserving pseudopotentials and their application for structure prediction
S Saha
University_of_Basel, 2017
12017
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
2021
Potential energy surface study of X@ Si X (X= Cl, Br) clusters to decipher the stabilization process of Si fullerene
DS De, S Saha, S Goedecker
arXiv preprint arXiv:2101.04508, 2021
2021
Comment on "Pentadiamond: A Hard Carbon Allotrope of a Pentagonal Network of sp2 and sp3 C Atoms"
SS Saha, W von der Linden, L Boeri
arXiv e-prints, arXiv--2007, 2020
2020
Utilizing finger prints to construct the disconnectivity graph.
D De, B Schaefer, S Saha, D Tomerini, SA Goedecker
Bulletin of the American Physical Society 64, 2019
2019
Utilizing finger prints to construct the disconnectivity graph
B Schaefer, S Saha, D Tomerini, SA Goedecker
APS 2019, C21. 003, 2019
2019
Comment on the stability of decorated C 48 B 12 heterofullerene
D Sankar De, S Saha, L Genovese, S Goedecker
arXiv, arXiv: 1802.03763, 2018
2018
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Articles 1–20