Vikram Gavini

According to our database, Vikram Gavini authored at least 17 papers between 2012 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

invDFT : A CPU-GPU massively parallel tool to find exact exchange-correlation potentials from groundstate densities.

Vishal Subramanian, Bikash Kanungo, Vikram Gavini

Comput. Phys. Commun., 2026

2025

An atomic cluster expansion potential for twisted multilayer graphene.

Yangshuai Wang, Drake Clark, Sambit Das, Ziyan Zhu, Daniel Massatt, Vikram Gavini, Mitchell Luskin, Christoph Ortner

Mach. Learn. Sci. Technol., 2025

Examining the Impact of Local Constraint Violations on Energy Computations in DFT.

Vaibhav Khanna, Bikash Kanungo, Vikram Gavini, Ambuj Tewari, Paul M. Zimmerman

J. Comput. Chem., 2025

2024

Learning local and semi-local density functionals from exact exchange-correlation potentials and energies.

Bikash Kanungo, Jeffrey Hatch, Paul M. Zimmerman, Vikram Gavini

CoRR, 2024

Exponential time propagators for elastodynamics.

Paavai Pari, Bikash Kanungo, Vikram Gavini

CoRR, 2024

2023

TTDFT: A GPU accelerated Tucker tensor DFT code for large-scale Kohn-Sham DFT calculations.

Chih-Chuen Lin, Vikram Gavini

Comput. Phys. Commun., 2023

Bridging scales with Machine Learning: From first principles statistical mechanics to continuum phase field computations to study order disorder transitions in LixCoO2.

Gregory H. Teichert, Sambit Das, Mostafa Faghih Shojaei, Jamie Holber, Timothy Mueller, Linda Hung, Vikram Gavini, Krishna C. Garikipati

CoRR, 2023

Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys.

Sambit Das, Bikash Kanungo, Vishal Subramanian, Gourab Panigrahi, Phani Motamarri, David M. Rogers, Paul M. Zimmerman, Vikram Gavini

Proceedings of the International Conference for High Performance Computing, 2023

2022

DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization.

Sambit Das, Phani Motamarri, Vishal Subramanian, David M. Rogers, Vikram Gavini

Comput. Phys. Commun., 2022

2021

Treecode-accelerated Green iteration for Kohn-Sham density functional theory.

Nathan Vaughn, Vikram Gavini, Robert Krasny

J. Comput. Phys., 2021

Li_xCoO₂ phase stability studied by machine learning-enabled scale bridging between electronic structure, statistical mechanics and phase field theories.

Gregory H. Teichert, Sambit Das, Muratahan Aykol, Chirranjeevi Balaji Gopal, Vikram Gavini, Krishna C. Garikipati

CoRR, 2021

2020

NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations.

Ilker Temizer, Phani Motamarri, Vikram Gavini

J. Comput. Phys., 2020

DFT-FE - A massively parallel adaptive finite-element code for large-scale density functional theory calculations.

Phani Motamarri, Sambit Das, Shiva Rudraraju, Krishnendu Ghosh, Denis Davydov, Vikram Gavini

Comput. Phys. Commun., 2020

2019

Fast, scalable and accurate finite-element based <i>ab initio</i> calculations using mixed precision computing: 46 PFLOPS simulation of a metallic dislocation system.

Sambit Das, Phani Motamarri, Vikram Gavini, Bruno Turcksin, Ying Wai Li, Brent Leback

Proceedings of the International Conference for High Performance Computing, 2019

2013

Higher-order adaptive finite-element methods for Kohn-Sham density functional theory.

Phani Motamarri, Michael R. Nowak, Kenneth W. Leiter, Jaroslaw Knap, Vikram Gavini

J. Comput. Phys., 2013

2012

Higher-order adaptive finite-element methods for orbital-free density functional theory.

Phani Motamarri, Mrinal Iyer, Jaroslaw Knap, Vikram Gavini

J. Comput. Phys., 2012

Approximation of the electron density of Aluminium clusters in tensor-product format.

T. Blesgen, Vikram Gavini, Venera Khoromskaia

J. Comput. Phys., 2012