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Vikram Gavini

university of michigan

27H指数
125论文数
2.3K被引数
收录论文 50
发表时间
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invDFT : A CPU-GPU massively parallel tool to find exact exchange-correlation potentials from groundstate densitiesinvDFT: 一种基于CPU-GPU大规模并行计算的工具，用于从基态密度中确定精确的交换-相关势
errComputer Physics Communications
IF3.4
err2026-05-17
err0
PREAI
errVishal Subramanian; Bikash Kanungo; Vikram Gavini
err分享
err收藏
An atomic cluster expansion potential for twisted multilayer graphene一种用于扭转多层石墨烯的原子团簇展开势
errMachine Learning: Science and Technology
IF0
err2025-11-07
err0
errOAAI
errYangshuai Wang; Drake Clark; Sambit Das; Ziyan Zhu; Daniel Massatt; Vikram Gavini; Mitchell Luskin; Christoph Ortner
err分享
err收藏
Learning local and semi-local density functionals from exact exchange-correlation potentials and energies从精确交换-相关势和能量中学习局部和半局部密度泛函
errScience Advances
IF12.5
err2025-09-19
err0
errOAAI
errBikash Kanungo; Jeffrey Hatch; Paul M. Zimmerman; Vikram Gavini
err分享
err收藏
Accelerating inverse Kohn-Sham calculations using reduced density matrices
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-02-14
err0
errOAAI
errKanungo, Bikash; Tribedi, Soumi; Zimmerman, Paul M.; Gavini, Vikram
err分享
err收藏
Examining the Impact of Local Constraint Violations on Energy Computations in DFT
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-01-02
err0
errOAAI
errKhanna, Vaibhav; Kanungo, Bikash; Gavini, Vikram; Tewari, Ambuj; Zimmerman, Paul M.
err分享
err收藏
Exponential time propagators for elastodynamics
errJOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
IF6
err2024-12-01
err1
PREAI
errPari, Paavai; Kanungo, Bikash; Gavini, Vikram
err分享
err收藏
MiMiC: A high-performance framework for multiscale molecular dynamics simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-11
err1
errOAAI
errAntalik, Andrej; Levy, Andrea; Kvedaraviciute, Sonata; Johnson, Sophia K.; Carrasco-Busturia, David; Raghavan, Bharath; Mouvet, Francois; Acocella, Angela; Das, Sambit; Gavini, Vikram; Mandelli, Davide; Ippoliti, Emiliano; Meloni, Simone; Carloni, Paolo; Rothlisberger, Ursula; Olsen, Jogvan Magnus Haugaard
err分享
err收藏
How Does HF-DFT Achieve Chemical Accuracy for Water Clusters?
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-06-28
err6
PREAI
errKaplan, Aaron D.; Shahi, Chandra; Sah, Raj K.; Bhetwal, Pradeep; Kanungo, Bikash; Gavini, Vikram; Perdew, John P.
err分享
err收藏
Tucker Tensor Approach for Accelerating Fock Exchange Computations in a Real-Space Finite-Element Discretization of Generalized Kohn-Sham Density Functional Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-04-25
err3
errOAAI
errSubramanian, Vishal; Das, Sambit; Gavini, Vikram
err分享
err收藏
Atomistic simulations and machine learning of solute grain boundary segregation in Mg alloys at finite temperatures
errACTA MATERIALIA
IF9.3
err2024-01-01
err9
errOAAI
errMenon, Vaidehi; Das, Sambit; Gavini, Vikram; Qi, Liang
err分享
err收藏
Exchange correlation potentials from full configuration interaction in a Slater orbital basis
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-08-02
err5
errOAAI
errTribedi, Soumi; Dang, Duy-Khoi; Kanungo, Bikash; Gavini, Vikram; Zimmerman, Paul M.
err分享
err收藏
Effect of hydrogen on plasticity of a-Fe: A multi-scale assessment
errINTERNATIONAL JOURNAL OF PLASTICITY
IF12.8
err2023-06-01
err11
errOAAI
errKumar, Pranav; Ludhwani, Mohit M.; Das, Sambit; Gavini, Vikram; Kanjarla, Anand; Adlakha, Ilaksh
err分享
err收藏
Accelerating self-consistent field iterations in Kohn-Sham density functional theory using a low-rank approximation of the dielectric matrix
errPHYSICAL REVIEW B
IF3.7
err2023-03-16
err4
errOAAI
errDas, Sambit; Gavini, Vikram
err分享
err收藏
Efficient All-Electron Time-Dependent Density Functional Theory Calculations Using an Enriched Finite Element Basis
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-19
err3
errOAAI
errKanungo, Bikash; Rufus, Nelson D.; Gavini, Vikram
err分享
err收藏
TTDFT: A GPU accelerated Tucker tensor DFT code for large-scale Kohn-Sham DFT calculations
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2023-01-01
err3
errOAAI
errLin, Chih-Chuen; Gavini, Vikram
err分享
err收藏
DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2022-11-01
err40
errOAAI
errDas, Sambit; Motamarri, Phani; Subramanian, Vishal; Rogers, David M.; Gavini, Vikram
err分享
err收藏
Modulating the microscopic lattice distortions through the Al-rich layers for boosting the ferroelectricity in Al:HfO2 nanofilms
errJOURNAL OF PHYSICS D-APPLIED PHYSICS
IF3.2
err2022-09-15
err6
PREAI
errYao, Lulu; Das, Sambit; Liu, Xin; Wu, Kai; Cheng, Yonghong; Gavini, Vikram; Xiao, Bing
err分享
err收藏
Ionic forces and stress tensor in all-electron density functional theory calculations using an enriched finite-element basis
errPHYSICAL REVIEW B
IF3.7
err2022-08-05
err4
errOAAI
errRufus, Nelson D.; Gavini, Vikram
err分享
err收藏
Spin-spin interactions in defects in solids from mixed all-electron and pseudopotential first-principles calculations (vol 7, 123, 2021)
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2021-08-11
err1
errOAAI
errGhosh, Krishnendu; Ma, He; Onizhuk, Mykyta; Gavini, Vikram; Galli, Giulia
err分享
err收藏
Fast and robust all-electron density functional theory calculations in solids using orthogonalized enriched finite elements
errPHYSICAL REVIEW B
IF3.7
err2021-08-09
err11
errOAAI
errRufus, Nelson D.; Kanungo, Bikash; Gavini, Vikram
err分享
err收藏

研究方向

暂无研究方向
合作学者
合作期刊
Y
Yang Shao‐Horn
H 指数: 137 · 论文数: 792
J
John P. Perdew
H 指数: 113 · 论文数: 553
C
Chris Wolverton
H 指数: 111 · 论文数: 1.2K
T
Thomas F. Jaramillo
H 指数: 111 · 论文数: 582
G
Giulia Galli
H 指数: 94 · 论文数: 803
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