| Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016 | 513 | 2016 |
| Transition-metal decoration enhanced room-temperature hydrogen storage in a defect-modulated graphene sheet A Bhattacharya, S Bhattacharya, C Majumder, GP Das The Journal of Physical Chemistry C 114 (22), 10297-10301, 2010 | 158 | 2010 |
| Band gap engineering by functionalization of BN sheet A Bhattacharya, S Bhattacharya, GP Das Physical Review B 85 (3), 035415, 2012 | 145 | 2012 |
| GAtor: A first-principles genetic algorithm for molecular crystal structure prediction F Curtis, X Li, T Rose, A Vazquez-Mayagoitia, S Bhattacharya, ... Journal of chemical theory and computation 14 (4), 2246-2264, 2018 | 98 | 2018 |
| Band Gap Engineering in Cs2(NaxAg1–x)BiCl6 Double Perovskite Nanocrystals RS Lamba, P Basera, S Bhattacharya, S Sapra The Journal of Physical Chemistry Letters 10 (17), 5173-5181, 2019 | 96 | 2019 |
| Stability and Metastability of Clusters in a Reactive Atmosphere: Theoretical Evidence for Unexpected Stoichiometries of S Bhattacharya, SV Levchenko, LM Ghiringhelli, M Scheffler Physical review letters 111 (13), 135501, 2013 | 90 | 2013 |
| Third conformer of graphane: A first-principles density functional theory study A Bhattacharya, S Bhattacharya, C Majumder, GP Das Physical Review B 83 (3), 033404, 2011 | 78 | 2011 |
| Unraveling the structural and morphological stability of oxygen vacancy engineered leaf-templated CaTiO 3 towards photocatalytic H 2 evolution and N 2 fixation reactions A Kumar, M Kumar, VN Rao, MV Shankar, S Bhattacharya, V Krishnan Journal of Materials Chemistry A 9 (31), 17006-17018, 2021 | 56 | 2021 |
| Strain-induced band-gap deformation of H/F passivated graphene and h-BN sheet A Bhattacharya, S Bhattacharya, GP Das Physical Review B 84 (7), 075454, 2011 | 53 | 2011 |
| Hydrogen Storage in Ti-Decorated BC4N Nanotube S Bhattacharya, C Majumder, GP Das The Journal of Physical Chemistry C 112 (45), 17487-17491, 2008 | 53 | 2008 |
| Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms S Bhattacharya, SV Levchenko, LM Ghiringhelli, M Scheffler New Journal of Physics 16 (12), 123016, 2014 | 51 | 2014 |
| A fast and effective approach for reversible wetting-dewetting transitions on ZnO nanowires K Yadav, BR Mehta, S Bhattacharya, JP Singh Scientific reports 6 (1), 35073, 2016 | 42 | 2016 |
| Concepts and methods in modern theoretical chemistry: electronic structure and reactivity SK Ghosh, PK Chattaraj CRC Press, 2013 | 42 | 2013 |
| Exploring semiconductor substrates for silicene epitaxy A Bhattacharya, S Bhattacharya, GP Das Applied Physics Letters 103 (12), 123113, 2013 | 40 | 2013 |
| Anti-Kubas type interaction in hydrogen storage on a Li decorated BHNH sheet: a first-principles based study S Bhattacharya, A Bhattacharya, GP Das The Journal of Physical Chemistry C 116 (5), 3840-3844, 2012 | 40 | 2012 |
| Ti-Decorated BC4N Sheet: A planar Nanostructure for High-Capacity Hydrogen Storage S Bhattacharya, C Majumder, GP Das The Journal of Physical Chemistry C 113 (36), 15783-15787, 2009 | 35 | 2009 |
| Computational design of nanoclusters by property-based genetic algorithms: Tuning the electronic properties of clusters S Bhattacharya, BH Sonin, CJ Jumonville, LM Ghiringhelli, N Marom Physical Review B 91 (24), 241115, 2015 | 32 | 2015 |
| Formation of water chains on CaO (001): What drives the 1D growth? X Zhao, X Shao, Y Fujimori, S Bhattacharya, LM Ghiringhelli, HJ Freund, ... The Journal of Physical Chemistry Letters 6 (7), 1204-1208, 2015 | 32 | 2015 |
| Tuning the wettability of indium oxide nanowires from superhydrophobic to nearly superhydrophilic: Effect of oxygen-related defects K Yadav, BR Mehta, KV Lakshmi, S Bhattacharya, JP Singh The Journal of Physical Chemistry C 119 (28), 16026-16032, 2015 | 31 | 2015 |
| Self energy and excitonic effect in (un) doped TiO anatase: A comparative study of hybrid DFT, GW and BSE to explore optical properties P Basera, S Saini, S Bhattacharya J.Mater.Chem.C 7, 14284, 2019 | 30 | 2019 |
Pooja BaseraPostdoctoral Fellow, Stanford UniversityVerified email at stanford.edu
