Items where Author is "Saha, Santanu"

2018

De, Deb Sankar and Saha, Santanu and Genovese, Luigi and Goedecker, Stefan. (2018) Influence of an external electric field on the potential-energy surface of alkali-metal-decorated C-60. Physical Review A, 97 (6). 063401.

De, Deb Sankar and Flores-Livas, Jose A. and Saha, Santanu and Genovese, Luigi and Goedecker, Stefan. (2018) Stable structures of exohedrally decorated C60-fullerenes. Carbon, 129. pp. 847-853.

2017

Saha, Santanu and Genovese, Luigi and Goedecker, Stefan. (2017) Metastable exohedrally decorated Borospherene B-40. Scientific Reports, 7. p. 7618.

Saha, Santanu. Soft and accurate norm conserving pseudopotentials and their application for structure prediction. 2017, Doctoral Thesis, University of Basel, Faculty of Science.

Fisicaro, Giuseppe and Sicher, Michael and Amsler, Maximilian and Saha, Santanu and Genovese, Luigi and Goedecker, Stefan. (2017) Surface reconstruction of fluorites in vacuum and aqueous environment. Physical Review Materials, 1 (3). 033609.

Jensen, Stig Rune and Saha, Santanu and Flores-Livas, Jose A. and Huhn, William and Blum, Volker and Goedecker, Stefan and Frediani, Luca. (2017) The Elephant in the Room of Density Functional Theory Calculations. Journal of Physical Chemistry Letters, 8 (7). pp. 1449-1457.

2016

Lejaeghere, Kurt and Bihlmayer, Gustav and Bjoerkman, Torbjoern and Blaha, Peter and Bluegel, Stefan and Blum, Volker and Caliste, Damien and Castelli, Ivano E. and Clark, Stewart J. and Dal Corso, Andrea and de Gironcoli, Stefano and Deutsch, Thierry and Dewhurst, John Kay and Di Marco, Igor and Draxl, Claudia and Dulak, Marcin and Eriksson, Olle and Flores-Livas, Jose A. and Garrity, Kevin F. and Genovese, Luigi and Giannozzi, Paolo and Giantomassi, Matteo and Goedecker, Stefan and Gonze, Xavier and Granaes, Oscar and Gross, E. K. U. and Gulans, Andris and Gygi, Francois and Hamann, D. R. and Hasnip, Phil J. and Holzwarth, N. A. W. and Iusan, Diana and Jochym, Dominik B. and Jollet, Francois and Jones, Daniel and Kresse, Georg and Koepernik, Klaus and Kuecuekbenli, Emine and Kvashnin, Yaroslav O. and Locht, Inka L. M. and Lubeck, Sven and Marsman, Martijn and Marzari, Nicola and Nitzsche, Ulrike and Nordstrom, Lars and Ozaki, Taisuke and Paulatto, Lorenzo and Pickard, Chris J. and Poelmans, Ward and Probert, Matt I. J. and Refson, Keith and Richter, Manuel and Rignanese, Gian-Marco and Saha, Santanu and Scheffler, Matthias and Schlipf, Martin and Schwarz, Karlheinz and Sharma, Sangeeta and Tavazza, Francesca and Thunstroem, Patrik and Tkatchenko, Alexandre and Torrent, Marc and Vanderbilt, David and van Setten, Michiel J. and Van Speybroeck, Veronique and Wills, John M. and Yates, Jonathan R. and Zhang, Guo-Xu and Cottenier, Stefaan. (2016) Reproducibility in density functional theory calculations of solids. Science, 351 (6280). pp. 1415-U81.

2015

Joehr, Res and Hinaut, Antoine and Pawlak, Remy and Sadeghi, Ali and Saha, Santanu and Goedecker, Stefan and Such, Bartosz and Szymonski, Marek and Meyer, Ernst and Glatzel, Thilo. (2015) Characterization of individual molecular adsorption geometries by atomic force microscopy: Cu-TCPP on rutile TiO2 (110). Journal of Chemical Physics, 143 (9). 094202.

Ghasemi, S. Alireza and Hofstetter, Albert and Saha, Santanu and Goedecker, Stefan. (2015) Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network. Physical review B: Condensed matter and materials physics, 92 (4). 045131.