Self-Energy on the Low- to High-Energy Electronic Structure of Correlated Metal S Aizaki, T Yoshida, K Yoshimatsu, M Takizawa, M Minohara, S Ideta, ...
Physical Review Letters 109 (5), 056401, 2012
86 2012 Rationalization of electrocatalysis of nickel phosphide nanowires for efficient hydrogen production Young-Hoon Chung, Kapil Gupta, Jue-Hyuk Jang, Hyun S. Park, Injoon Jang ...
Nano Energy 26, 496, 2016
63 2016 Strain-driven magnetism in LaCoO 3 thin films K Gupta, P Mahadevan
Physical Review B 79 (2), 020406, 2009
40 2009 Orbital-ordering-induced ferroelectricity in SrCrO 3 K Gupta, P Mahadevan, P Mavropoulos, M Ležaić
Physical review letters 111 (7), 077601, 2013
31 2013 Ferroelectric distortions in doped ferroelectrics: BaTiO 3: M (M= V− Fe) HK Chandra, K Gupta, AK Nandy, P Mahadevan
Physical Review B 87 (21), 214110, 2013
24 2013 Site preference of NH3-adsorption on Co, Pt and CoPt surfaces: the role of charge transfer, magnetism and strain S Bhattacharjee, K Gupta, N Jung, S J Yoo, U V Waghmare, SC Lee
Physical Chemistry Chemical Physics 17 (14), 9335, 2015
11 2015 Role of zero-point effects in stabilizing the ground state structure of bulk Fe2P SS Bhat, K Gupta, S Bhattacharjee, SC Lee
Journal of Physics: Condensed Matter 30 (21), 215401, 2018
8 2018 DJMol: An open‐source modeling platform for computational chemistry and materials science with a Python interpreter K G. Prasanna, R Sunil, K Gupta, SC Lee
Journal of Computational Chemistry 42 (29), 2116-2129, 2021
5 2021 CINEMAS: Comprehensively INtegrated Environment for advanced MAterials Simulations K Gupta, S Bhattacharjee, SC Lee
Computational Materials Science 188, 110238, 2021
1 2021 In Search of a Truly Two-Dimensional Metallic Oxide P Mahadevan, K Gupta
Functional Metal Oxide Nanostructures, 147-154, 2011
2011