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Shashikant Kumar
Shashikant Kumar
Ph.D. in computational mechanics/chemistry at Georgia Tech.
Verified email at gatech.edu
Title
Cited by
Cited by
Year
Flexoelectricity in atomic monolayers from first principles
S Kumar, D Codony, I Arias, P Suryanarayana
Nanoscale 13 (3), 1600-1607, 2021
312021
Bending moduli for forty-four select atomic monolayers from first principles
S Kumar, P Suryanarayana
Nanotechnology 31 (43), 43LT01, 2020
302020
On preconditioning the self-consistent field iteration in real-space Density Functional Theory
S Kumar, Q Xu, P Suryanarayana
Chemical Physics Letters 739, 136983, 2020
182020
On the bending of rectangular atomic monolayers along different directions: an ab initio study
S Kumar, P Suryanarayana
Nanotechnology 34 (8), 085701, 2023
92023
Review of the second charged-particle transport coefficient code comparison workshop
LJ Stanek, A Kononov, SB Hansen, BM Haines, SX Hu, PF Knapp, ...
Physics of Plasmas 31 (5), 2024
82024
Kohn–Sham accuracy from orbital-free density functional theory via Δ-machine learning
S Kumar, X Jing, JE Pask, AJ Medford, P Suryanarayana
The Journal of Chemical Physics 159 (24), 2023
82023
Accurate parameterization of the kinetic energy functional
S Kumar, EL Borda, B Sadigh, S Zhu, S Hamel, B Gallagher, V Bulatov, ...
The Journal of Chemical Physics 156 (2), 2022
72022
On-the-fly machine learned force fields for the study of warm dense matter: Application to diffusion and viscosity of CH
S Kumar, X Jing, JE Pask, P Suryanarayana
Physics of Plasmas 31 (4), 2024
52024
Version 2.0. 0--SPARC: Simulation Package for Ab-initio Real-space Calculations
B Zhang, X Jing, Q Xu, S Kumar, A Sharma, L Erlandson, SJ Sahoo, ...
arXiv preprint arXiv:2305.07679, 2023
5*2023
Version 2.0. 0-M-SPARC: Matlab-simulation package for ab-initio real-space calculations
B Zhang, X Jing, S Kumar, P Suryanarayana
SoftwareX 21, 101295, 2023
52023
Accurate parameterization of the kinetic energy functional for calculations using exact-exchange
S Kumar, B Sadigh, S Zhu, P Suryanarayana, S Hamel, B Gallagher, ...
The Journal of Chemical Physics 156 (2), 2022
42022
Overcoming the chemical complexity bottleneck in on-the-fly machine learned molecular dynamics simulations
LR Timmerman, S Kumar, P Suryanarayana, AJ Medford
Journal of Chemical Theory and Computation, 2024
12024
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Articles 1–12