Abhiraj Sharma

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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. MedfordAssistant Professor, School of Chemical & Biomolecular Engineering, Georgia Institute of TechnologyVerified email at chbe.gatech.edu
L. H. YangLawrence Livermore National LaboratoryVerified email at llnl.gov
Mandy BethkenhagenCNRS Researcher at LULIVerified email at polytechnique.edu
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 ErlandsonPost Doctoral Computational Mathematician, Lawrence Livermore National LabVerified email at llnl.gov
Benjamin M ComerShellVerified email at gatech.edu
Hua HuangEngineer @ NVIDIAVerified email at nvidia.com
Sebastien HamelLawrence Livermore National LaboratoryVerified email at llnl.gov
Shashikant KumarPh.D. in computational mechanics/chemistry at Georgia Tech.Verified email at gatech.edu
Xin JingPhd candidate, Georgia Institute of TechnologyVerified email at gatech.edu

Abhiraj Sharma

Postdoctoral researcher, Lawrence Livermore National lab

Verified email at llnl.gov

Density Functional Theory DFPT Nanomechanics 1D Nanostructures


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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	63	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	58	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	37	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	28	2021
M-SPARC: Matlab-simulation package for ab-initio real-space calculations Q Xu, A Sharma, P Suryanarayana SoftwareX 11, 100423, 2020	22	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	21*	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	15	2018
Torsional strain engineering of transition metal dichalcogenide nanotubes: An ab initio study A Bharadwaj, A Sharma, P Suryanarayana Nanotechnology 32, 28LT02, 2021	14	2021
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	14	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	13	2018
Torsional moduli of transition metal dichalcogenide nanotubes from first principles A Bhardwaj, A Sharma, P Suryanarayana Nanotechnology 32 (28), 28LT02, 2021	10	2021
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	8	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 20, 100649, 2024	6*	2024
Calculation of phonons in real-space density functional theory A Sharma, P Suryanarayana Physical Review E 108 (4), 045302, 2023	3	2023
Cyclic and helical symmetry-informed machine learned force fields: Application to lattice vibrations in carbon nanotubes A Sharma, S Kumar, P Suryanarayana arXiv preprint arXiv:2408.07554, 2024		2024
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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