Saswata Bhattacharya
Saswata Bhattacharya
Department of Physics, Indian Institute of Technology Delhi, Hauz Khas
Verified email at physics.iitd.ac.in - Homepage
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Year
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
2822016
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
1252010
Band gap engineering by functionalization of BN sheet
A Bhattacharya, S Bhattacharya, GP Das
Physical Review B 85 (3), 035415, 2012
922012
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
672013
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
652011
Hydrogen Storage in Ti-Decorated BC4N Nanotube
S Bhattacharya, C Majumder, GP Das
The Journal of Physical Chemistry C 112 (45), 17487-17491, 2008
482008
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
462011
Exploring semiconductor substrates for silicene epitaxy
A Bhattacharya, S Bhattacharya, GP Das
Applied Physics Letters 103 (12), 123113, 2013
362013
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
352014
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
322012
A fast and effective approach for reversible wetting-dewetting transitions on ZnO nanowires
K Yadav, BR Mehta, S Bhattacharya, JP Singh
Scientific reports 6, 35073, 2016
302016
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
292009
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
262018
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
252015
First principles prediction of the third conformer of hydrogenated BN sheet
A Bhattacharya, S Bhattacharya, C Majumder, GP Das
physica status solidi (RRL)–Rapid Research Letters 4 (12), 368-370, 2010
252010
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
232015
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
232015
Lithium Calcium Imide [Li2Ca(NH)2] for Hydrogen Storage: Structural and Thermodynamic Properties
S Bhattacharya, G Wu, C Ping, YP Feng, GP Das
The Journal of Physical Chemistry B 112 (36), 11381-11384, 2008
202008
Unraveling the role of vacancies in the potentially promising thermoelectric clathrates Ba 8 Zn x Ge 46− x− y□ y
A Bhattacharya, S Bhattacharya
Physical Review B 94 (9), 094305, 2016
192016
Concepts and methods in modern theoretical chemistry: electronic structure and reactivity
SK Ghosh, PK Chattaraj
CRC Press, 2013
192013
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