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Abhiraj Sharma
Abhiraj Sharma
Postdoctoral researcher, Lawrence Livermore National lab
Verified email at llnl.gov
Title
Cited by
Cited by
Year
SQDFT: Spectral Quadrature method for large-scale parallel O (N) Kohn–Sham calculations at high temperature
P Suryanarayana, PP Pratapa, A Sharma, JE Pask
Computer Physics Communications 224, 288-298, 2018
592018
SPARC: Simulation package for ab-initio real-space calculations
Q Xu, A Sharma, B Comer, H Huang, E Chow, AJ Medford, JE Pask, ...
SoftwareX 15, 100709, 2021
502021
Equation of state of boron nitride combining computation, modeling, and experiment
S Zhang, A Lazicki, B Militzer, LH Yang, K Caspersen, JA Gaffney, ...
Physical Review B 99 (16), 165103, 2019
352019
Real-space density functional theory adapted to cyclic and helical symmetry: Application to torsional deformation of carbon nanotubes
A Sharma, P Suryanarayana
Physical Review B 103 (3), 035101, 2021
272021
M-SPARC: Matlab-simulation package for ab-initio real-space calculations
Q Xu, A Sharma, P Suryanarayana
SoftwareX 11, 100423, 2020
202020
Properties of carbon up to 10 million kelvin from Kohn-Sham density functional theory molecular dynamics
M Bethkenhagen, A Sharma, P Suryanarayana, JE Pask, B Sadigh, ...
Physical Review E 107 (1), 015306, 2023
17*2023
Real-space formulation of the stress tensor for O (N) density functional theory: Application to high temperature calculations
A Sharma, S Hamel, M Bethkenhagen, JE Pask, P Suryanarayana
The Journal of Chemical Physics 153 (3), 2020
142020
On real-space Density Functional Theory for non-orthogonal crystal systems: Kronecker product formulation of the kinetic energy operator
A Sharma, P Suryanarayana
Chemical Physics Letters 700, 156-162, 2018
142018
Torsional strain engineering of transition metal dichalcogenide nanotubes: An ab initio study
A Bharadwaj, A Sharma, P Suryanarayana
Nanotechnology 32, 28LT02, 2021
122021
On the calculation of the stress tensor in real-space Kohn-Sham density functional theory
A Sharma, P Suryanarayana
The Journal of chemical physics 149 (19), 2018
122018
Torsional moduli of transition metal dichalcogenide nanotubes from first principles
A Bhardwaj, A Sharma, P Suryanarayana
Nanotechnology 32 (28), 28LT02, 2021
82021
GPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure code
A Sharma, A Metere, P Suryanarayana, L Erlandson, E Chow, JE Pask
The Journal of Chemical Physics 158 (20), 2023
62023
Calculation of phonons in real-space density functional theory
A Sharma, P Suryanarayana
Physical Review E 108 (4), 045302, 2023
3*2023
SPARC v2. 0.0: Spin-orbit coupling, dispersion interactions, and advanced exchange-correlation functionals
B Zhang, X Jing, Q Xu, S Kumar, A Sharma, L Erlandson, SJ Sahoo, ...
Software Impacts, 100649, 2024
2024
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
2023
Symmetry-adapted density functional theory
A Sharma
Georgia Institute of Technology, 2022
2022
STRESS TENSOR IN REAL-SPACE KOHN-SHAM DENSITY FUNCTIONAL THEORY
A Sharma
Georgia Institute of Technology, 2021
2021
Comparison of quantum simulation methods for computing equation of state of warm dense matter and plasmas
H Whitley, S Zhang, J Gaffney, L Yang, J Pask, B Militzer, K Caspersen, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
Large-scale O (N) DFT calculations for carbon at high temperature
M Bethkenhagen, A Sharma, P Suryanarayana, JE Pask, B Sadigh, ...
Book of Abstracts, 16th International Conference on the Physics of Non-Ideal …, 0
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