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Journal Articles
- 2022
[j5]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: 108473 (2022)- 2020
- [j4]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) - [j3]Ilker Temizer, Phani Motamarri, Vikram Gavini:
NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations. J. Comput. Phys. 410: 109364 (2020) - 2013
- [j2]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: 308-343 (2013) - 2012
- [j1]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): 6596-6621 (2012)
Conference and Workshop Papers
- 2023
- [c2]Sambit Das, Bikash Kanungo, Vishal Subramanian, Gourab Panigrahi, Phani Motamarri, David M. Rogers, Paul M. Zimmerman, Vikram Gavini:
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 - 2019
- [c1]Sambit Das, Phani Motamarri, Vikram Gavini, Bruno Turcksin, Ying Wai Li, Brent Leback:
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
Coauthor Index
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