Abhiraj Sharma

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Citations	351	330
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Phanish SuryanarayanaProfessor, Georgia Institute of TechnologyVerified email at ce.gatech.edu
Qimen XuNational Supercomputing Center in ShenzhenVerified email at nsccsz.cn
Edmond ChowGeorgia Institute of TechnologyVerified email at cc.gatech.edu
Andrew J. MedfordAssociate Professor, School of Chemical & Biomolecular Engineering, Georgia Institute of TechnologyVerified email at chbe.gatech.edu
Mandy BethkenhagenCNRS Researcher at LULIVerified email at polytechnique.edu
L. H. YangLawrence Livermore National LaboratoryVerified email at llnl.gov
Heather D WhitleyLawrence Livermore National LaboratoryVerified email at llnl.gov
Joseph NilsenLawrence Livermore National LaboratoryVerified email at llnl.gov
Jim A GaffneyFocused Energy, Inc.Verified email at focused-energy.world
Damian SwiftLawrence Livermore National LaboratoryVerified email at physics.org
Rich LondonVerified email at llnl.gov
Shuai Zhang (张帅)Staff Scientist, University of Rochester - Laboratory for Laser EnergeticsVerified email at lle.rochester.edu
Phanisri Pradeep PratapaAssistant Professor, Indian Institute of Technology MadrasVerified email at iitm.ac.in
Babak SadighLawrence Livermore National LaboratoryVerified email at llnl.gov
Lucas ErlandsonDevTech, NVIDIAVerified email at nvidia.com
Benjamin M ComerShellVerified email at gatech.edu
Hua HuangDevTech Engineer @ NVIDIAVerified email at nvidia.com
Sebastien HamelLawrence Livermore National LaboratoryVerified email at llnl.gov
Xin JingPhd candidate, Georgia Institute of TechnologyVerified email at gatech.edu
Shashikant KumarPh.D. in computational mechanics/chemistry at Georgia Tech.Verified email at gatech.edu

Abhiraj Sharma

Assistant Professor, Indian Institute of Technology Roorkee

Verified email at ce.iitr.ac.in

Density functional theory High performance computing Nanostructures High performance materials


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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	68	2018
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	63	2021
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	40	2019
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	30	2021
M-SPARC: Matlab-simulation package for ab-initio real-space calculations Q Xu, A Sharma, P Suryanarayana SoftwareX 11, 100423, 2020	26	2020
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	25*	2023
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	17	2018
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	16	2020
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	16	2018
Torsional strain engineering of transition metal dichalcogenide nanotubes: An ab initio study A Bharadwaj, A Sharma, P Suryanarayana Nanotechnology 32, 28LT02, 2021	15	2021
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 20, 100649, 2024	11	2024
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	10	2023
Torsional moduli of transition metal dichalcogenide nanotubes from first principles A Bhardwaj, A Sharma, P Suryanarayana Nanotechnology 32 (28), 28LT02, 2021	10	2021
Calculation of phonons in real-space density functional theory A Sharma, P Suryanarayana Physical Review E 108 (4), 045302, 2023	3	2023
Symmetry-adapted density functional theory A Sharma Georgia Institute of Technology, 2022	1	2022
GPU acceleration of hybrid functional calculations in the SPARC electronic structure code X Jing, A Sharma, JE Pask, P Suryanarayana arXiv preprint arXiv:2501.16572, 2025		2025
Cyclic and helical symmetry-informed machine learned force fields: Application to lattice vibrations in carbon nanotubes A Sharma, S Kumar, P Suryanarayana Journal of the Mechanics and Physics of Solids 194, 105927, 2025		2025
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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