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Vikram Gavini
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2020 – today
- 2024
- [i4]Paavai Pari, Bikash Kanungo, Vikram Gavini:
Exponential time propagators for elastodynamics. CoRR abs/2405.05213 (2024) - [i3]Bikash Kanungo, Jeffrey Hatch, Paul M. Zimmerman, Vikram Gavini:
Learning local and semi-local density functionals from exact exchange-correlation potentials and energies. CoRR abs/2409.06498 (2024) - 2023
- [j8]Chih-Chuen Lin, Vikram Gavini
:
TTDFT: A GPU accelerated Tucker tensor DFT code for large-scale Kohn-Sham DFT calculations. Comput. Phys. Commun. 282: 108516 (2023) - [c2]Sambit Das
Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys. SC 2023: 1:1-1:12 - [i2]Gregory H. Teichert, Sambit Das, Mostafa Faghih Shojaei, Jamie Holber, Timothy Mueller, Linda 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 abs/2302.08991 (2023) - 2022
- [j7]Sambit Das
DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization. Comput. Phys. Commun. 280: 108473 (2022) - 2021
- [j6]Nathan Vaughn
Treecode-accelerated Green iteration for Kohn-Sham density functional theory. J. Comput. Phys. 430: 110101 (2021) - [i1]Gregory H. Teichert, Sambit Das, Muratahan Aykol, Chirranjeevi Balaji Gopal, Vikram Gavini, Krishna C. Garikipati:
LixCoO2 phase stability studied by machine learning-enabled scale bridging between electronic structure, statistical mechanics and phase field theories. CoRR abs/2104.08318 (2021) - 2020
- [j5]Phani Motamarri
DFT-FE - A massively parallel adaptive finite-element code for large-scale density functional theory calculations. Comput. Phys. Commun. 246 (2020) - [j4]Ilker Temizer
NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations. J. Comput. Phys. 410: 109364 (2020)
2010 – 2019
- 2019
- [c1]Sambit Das
Fast, scalable and accurate finite-element based ab initio calculations using mixed precision computing: 46 PFLOPS simulation of a metallic dislocation system. SC 2019: 2:1-2:11 - 2013
- [j3]Phani Motamarri
Higher-order adaptive finite-element methods for Kohn-Sham density functional theory. J. Comput. Phys. 253: 308-343 (2013) - 2012
- [j2]T. Blesgen, Vikram Gavini, Venera Khoromskaia:
Approximation of the electron density of Aluminium clusters in tensor-product format. J. Comput. Phys. 231(6): 2551-2564 (2012) - [j1]Phani Motamarri
Higher-order adaptive finite-element methods for orbital-free density functional theory. J. Comput. Phys. 231(20): 6596-6621 (2012)
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