Vikram Gavini

Publication Activity (10 Years)

Years Active: 2012-2024
Publications (10 Years): 10

Top Topics

Machine Learning

Statistical Mechanics

Massively Parallel

Top Venues

Comput. Phys. Commun.

J. Comput. Phys.

Publications

Paavai Pari, Bikash Kanungo, Vikram Gavini
Exponential time propagators for elastodynamics. CoRR (2024)
Gregory H. Teichert, S. Das, M. Faghih Shojaei, J. Holber, T. Mueller, L. Hung, Vikram Gavini, Krishna C. Garikipati
Bridging scales with Machine Learning: From first principles statistical mechanics to continuum phase field computations to study order disorder transitions in LixCoO2. CoRR (2023)
Chih-Chuen Lin, Vikram Gavini
TTDFT: A GPU accelerated Tucker tensor DFT code for large-scale Kohn-Sham DFT calculations. Comput. Phys. Commun. 282 (2023)
Sambit Das, Bikash Kanungo, Vishal Subramanian, Gourab Panigrahi, Phani Motamarri, David M. Rogers, Paul Zimmerman, Vikram Gavini
Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys. SC (2023)
Sambit Das, Phani Motamarri, Vishal Subramanian, David M. Rogers, Vikram Gavini
DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization. Comput. Phys. Commun. 280 (2022)
Gregory H. Teichert, Sambit Das, Muratahan Aykol, Chirranjeevi Balaji Gopal, Vikram Gavini, Krishna C. Garikipati
phase stability studied by machine learning-enabled scale bridging between electronic structure, statistical mechanics and phase field theories. CoRR (2021)
Nathan Vaughn, Vikram Gavini, Robert Krasny
Treecode-accelerated Green iteration for Kohn-Sham density functional theory. J. Comput. Phys. 430 (2021)
Phani Motamarri, Sambit Das, Shiva Rudraraju, Krishnendu Ghosh, Denis Davydov, Vikram Gavini
DFT-FE - A massively parallel adaptive finite-element code for large-scale density functional theory calculations. Comput. Phys. Commun. 246 (2020)
Ilker Temizer, Phani Motamarri, Vikram Gavini
NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations. J. Comput. Phys. 410 (2020)
Sambit Das, Phani Motamarri, Vikram Gavini, Bruno Turcksin, Ying Wai Li, Brent Leback
calculations using mixed precision computing: 46 PFLOPS simulation of a metallic dislocation system. SC (2019)
Phani Motamarri, Michael R. Nowak, Kenneth W. Leiter, Jaroslaw Knap, Vikram Gavini
Higher-order adaptive finite-element methods for Kohn-Sham density functional theory. J. Comput. Phys. 253 (2013)
T. Blesgen, Vikram Gavini, Venera Khoromskaia
Approximation of the electron density of Aluminium clusters in tensor-product format. J. Comput. Phys. 231 (6) (2012)
Phani Motamarri, Mrinal Iyer, Jaroslaw Knap, Vikram Gavini
Higher-order adaptive finite-element methods for orbital-free density functional theory. J. Comput. Phys. 231 (20) (2012)