Phani Motamarri

14 papers A 2Journal 8Unranked 4

Year	Rank	Type	Title / Venue / Authors
2025	—	`conf`	Efficient methods for ab initio modelling of materials using finite-element DFT with meta-GGA functionals. HiPCW Srinibas Nandi, Phani Motamarri
2025	—	`conf`	Finite-element methods for noncollinear magnetism and spin-orbit coupling in real-space pseudopotential density functional theory. HiPCW Nikhil Kodali, Phani Motamarri
2025	—	`conf`	Integrating DFT-FE with ASE via a High-Performance Socket Interface. HiPCW Mehul Darak, Kartick Ramakrishnan, Phani Motamarri
2025	—	`conf`	Real-space finite-element methods and algorithms for DFT calculations in the exascale era using projector augmented wave method. HiPCW Kartick Ramakrishnan, Phani Motamarri
2025	J	`jnl`	Residual-based Chebyshev filtered subspace iteration for sparse Hermitian eigenvalue problems tolerant to inexact matrix-vector products. CoRR Nikhil Kodali, Kartick Ramakrishnan, Phani Motamarri
2025	J	`jnl`	Robust Lightweight Graph Neural Network Framework for Accelerating Crystal Structure Prediction. J. Chem. Inf. Model. Rushikesh Pawar, Ashish Rout, Satadeep Bhattacharjee, Phani Motamarri
2024	J	`jnl`	Fast hardware-aware matrix-free algorithms for higher-order finite-element discretized matrix multivector products on distributed systems. J. Parallel Distributed Comput. Gourab Panigrahi, Nikhil Kodali, Debashis Panda, Phani Motamarri
2023	A	`conf`	Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys. SC Sambit Das, Bikash Kanungo, Vishal Subramanian, Gourab Panigrahi, Phani Motamarri, David M. Rogers, Paul M. Zimmerman, Vikram Gavini
2022	J	`jnl`	DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization. Comput. Phys. Commun. Sambit Das, Phani Motamarri, Vishal Subramanian, David M. Rogers, Vikram Gavini
2020	J	`jnl`	DFT-FE - A massively parallel adaptive finite-element code for large-scale density functional theory calculations. Comput. Phys. Commun. Phani Motamarri, Sambit Das, Shiva Rudraraju, Krishnendu Ghosh, Denis Davydov, Vikram Gavini
2020	J	`jnl`	NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations. J. Comput. Phys. Ilker Temizer, Phani Motamarri, Vikram Gavini
2019	A	`conf`	Fast, scalable and accurate finite-element based SC Sambit Das, Phani Motamarri, Vikram Gavini, Bruno Turcksin, Ying Wai Li, Brent Leback
2013	J	`jnl`	Higher-order adaptive finite-element methods for Kohn-Sham density functional theory. J. Comput. Phys. Phani Motamarri, Michael R. Nowak, Kenneth W. Leiter, Jaroslaw Knap, Vikram Gavini
2012	J	`jnl`	Higher-order adaptive finite-element methods for orbital-free density functional theory. J. Comput. Phys. Phani Motamarri, Mrinal Iyer, Jaroslaw Knap, Vikram Gavini