Phani Motamarri

According to our database, Phani Motamarri authored at least 14 papers between 2012 and 2025.

Collaborative distances:

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

2025

Residual-based Chebyshev filtered subspace iteration for sparse Hermitian eigenvalue problems tolerant to inexact matrix-vector products.

Nikhil Kodali, Kartick Ramakrishnan, Phani Motamarri

CoRR, March, 2025

Robust Lightweight Graph Neural Network Framework for Accelerating Crystal Structure Prediction.

Rushikesh Pawar, Ashish Rout, Satadeep Bhattacharjee, Phani Motamarri

J. Chem. Inf. Model., 2025

Real-space finite-element methods and algorithms for DFT calculations in the exascale era using projector augmented wave method.

Kartick Ramakrishnan, Phani Motamarri

Proceedings of the 32nd IEEE International Conference on High Performance Computing, Data and Analytics, HiPC 2025, 2025

Efficient methods for ab initio modelling of materials using finite-element DFT with meta-GGA functionals.

Srinibas Nandi, Phani Motamarri

Proceedings of the 32nd IEEE International Conference on High Performance Computing, Data and Analytics, HiPC 2025, 2025

Finite-element methods for noncollinear magnetism and spin-orbit coupling in real-space pseudopotential density functional theory.

Nikhil Kodali, Phani Motamarri

Proceedings of the 32nd IEEE International Conference on High Performance Computing, Data and Analytics, HiPC 2025, 2025

Integrating DFT-FE with ASE via a High-Performance Socket Interface.

Mehul Darak, Kartick Ramakrishnan, Phani Motamarri

Proceedings of the 32nd IEEE International Conference on High Performance Computing, Data and Analytics, HiPC 2025, 2025

2024

Fast hardware-aware matrix-free algorithms for higher-order finite-element discretized matrix multivector products on distributed systems.

Gourab Panigrahi, Nikhil Kodali, Debashis Panda, Phani Motamarri

J. Parallel Distributed Comput., 2024

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

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