Phani Motamarri

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All published works

Action	Title	Year	Authors
+ PDF Chat	Fast and scalable finite-element based approach for density functional theory calculations using projector augmented wave method	2025	Kartick Ramakrishnan Sambit Das Phani Motamarri
+ PDF Chat	Finite-element methods for noncollinear magnetism and spin-orbit coupling in real-space pseudopotential density functional theory	2024	Nikhil Kodali Phani Motamarri
+ PDF Chat	Fast and scalable finite-element based approach for density functional theory calculations using projector-augmented wave method	2024	Kartick Ramakrishnan Sambit Das Phani Motamarri
+ PDF Chat	Roadmap on electronic structure codes in the exascale era	2023	Vikram Gavini Stefano Baroni Volker Blüm David R. Bowler Alexander Buccheri James R. Chelikowsky Sambit Das William Harbutt Dawson Pietro Delugas Mehmet Dogan
+ PDF Chat	Subspace recursive Fermi-operator expansion strategies for large-scale DFT eigenvalue problems on HPC architectures	2023	Sameer Khadatkar Phani Motamarri
+ PDF Chat	Chemical Bonding in Large Systems Using Projected Population Analysis from Real-Space Density Functional Theory Calculations	2023	Kartick Ramakrishnan Sai Krishna Kishore Nori Seung‐Cheol Lee G. P. Das Satadeep Bhattacharjee Phani Motamarri
+	Subspace recursive Fermi-operator expansion strategies for large-scale DFT eigenvalue problems on HPC architectures	2023	Sameer Khadatkar Phani Motamarri
+ PDF Chat	Fast Hardware-Aware Matrix-Free Algorithm for Higher-Order Finite-Element Discretized Matrix Multivector Products on Distributed Systems	2023	Gourab Panigrahi Nikhil Kodali Debashis Panda Phani Motamarri
+ PDF Chat	DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization	2022	Sambit Das Phani Motamarri Vishal Subramanian David Rogers Vikram Gavini
+	Fast hardware-aware matrix-free algorithm for higher-order finite-element discretized matrix multivector products on distributed systems	2022	Gourab Panigrahi Nikhil Kodali Debashis Panda Phani Motamarri
+	Chemical bonding in large systems using projected population analysis from real-space density functional theory calculations	2022	Kartick Ramakrishnan Sai Krishna Kishore Nori Seung‐Cheol Lee G. P. Das Satadeep Bhattacharjee Phani Motamarri
+	Roadmap on Electronic Structure Codes in the Exascale Era	2022	Vikram Gavini Stefano Baroni Volker Blüm David R. Bowler Alexander Buccheri James R. Chelikowsky Sambit Das William Harbutt Dawson Pietro Delugas Mehmet Doğan
+	Tensor-structured algorithm for reduced-order scaling large-scale Kohn-Sham density functional theory calculations	2020	Chih-Chuen Lin Phani Motamarri Vikram Gavini
+ PDF Chat	DFT-FE – A massively parallel adaptive finite-element code for large-scale density functional theory calculations	2019	Phani Motamarri Sambit Das Shiva Rudraraju Krishnendu Ghosh Denis Davydov Vikram Gavini
+ PDF Chat	Configurational forces in electronic structure calculations using Kohn-Sham density functional theory	2018	Phani Motamarri Vikram Gavini
+ PDF Chat	Spectrum-splitting approach for Fermi-operator expansion in all-electron Kohn-Sham DFT calculations	2017	Phani Motamarri Vikram Gavini Kaushik Bhattacharya M. Ortíz
+ PDF Chat	Subquadratic-scaling subspace projection method for large-scale Kohn-Sham density functional theory calculations using spectral finite-element discretization	2014	Phani Motamarri Vikram Gavini
+ PDF Chat	Higher-order adaptive finite-element methods for Kohn–Sham density functional theory	2013	Phani Motamarri Mark Nowak Kenneth Leiter Jaroslaw Knap Vikram Gavini
+ PDF Chat	Higher-order adaptive finite-element methods for orbital-free density functional theory	2012	Phani Motamarri Mrinal Iyer Jaroslaw Knap Vikram Gavini

Common Coauthors

Coauthor	Papers Together
Vikram Gavini	10
Sambit Das	5
Kartick Ramakrishnan	4
Nikhil Kodali	3
Laura E. Ratcliff	2
Sai Krishna Kishore Nori	2
Alexander Buccheri	2
Debashis Panda	2
Gourab Panigrahi	2
Satadeep Bhattacharjee	2
Jaroslaw Knap	2
Ayako Nakata	2
Danny Pérez	2
David R. Bowler	2
Matthias Scheffler	2
Matteo Giantomassi	2
Xavier Gonze	2
Sebastian Kokott	2
Seung‐Cheol Lee	2
James R. Chelikowsky	2
Tsuyoshi Miyazaki	2
Thomas D. Kühne	2
Andris Guļāns	2
Theresa L. Windus	2
Lionel A. Truflandier	2
William Harbutt Dawson	2
Qimen Xu	2
Phanish Suryanarayana	2
Mariana Rossi	2
Stefano Baroni	2
Ole Schütt	2
Marco Govoni	2
Paolo Giannozzi	2
Robert R. Schade	2
G. P. Das	2
Pietro Delugas	2
Sameer Khadatkar	2
Christian Plessl	2
Marc Torrent	2
Ryan M. Richard	2
Luigi Genovese	2
Kai‐Hsin Liou	2
Volker Blüm	2
John E. Pask	2
Claudia Draxl	2
Giulia Galli	2
François Gygi	2
Krishnendu Ghosh	1
Mehmet Dogan	1
Mehmet Doğan	1

Commonly Cited References

Action	Title	Year	Authors	# of times referenced
+ PDF Chat	Higher-order adaptive finite-element methods for Kohn–Sham density functional theory	2013	Phani Motamarri Mark Nowak Kenneth Leiter Jaroslaw Knap Vikram Gavini	10
+ PDF Chat	Iterative Procedures for Nonlinear Integral Equations	1965	Donald G. Anderson	8
+ PDF Chat	Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach	1999	John E. Pask Bern Klein C. Y. Fong P. A. Sterne	8
+ PDF Chat	QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials	2009	Paolo Giannozzi Stefano Baroni Nicola Bonini Matteo Calandra Roberto Car Carlo Cavazzoni Davide Ceresoli G. Chiarotti Matteo Cococcioni Ismaïla Dabo	6
+ PDF Chat	Subquadratic-scaling subspace projection method for large-scale Kohn-Sham density functional theory calculations using spectral finite-element discretization	2014	Phani Motamarri Vikram Gavini	6
+ PDF Chat	Parallel self-consistent-field calculations via Chebyshev-filtered subspace acceleration	2006	Yunkai Zhou Yousef Saad Murilo L. Tiago James R. Chelikowsky	6
+ PDF Chat	Large-scale all-electron density functional theory calculations using an enriched finite-element basis	2017	Bikash Kanungo Vikram Gavini	6
+ PDF Chat	DFT-FE – A massively parallel adaptive finite-element code for large-scale density functional theory calculations	2019	Phani Motamarri Sambit Das Shiva Rudraraju Krishnendu Ghosh Denis Davydov Vikram Gavini	6
+ PDF Chat	SPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory: Isolated clusters	2016	Swarnava Ghosh Phanish Suryanarayana	5
+ PDF Chat	All-electron density functional theory and time-dependent density functional theory with high-order finite elements	2009	Lauri Lehtovaara Ville Havu M. J. Puska	5
+ PDF Chat	Daubechies wavelets as a basis set for density functional pseudopotential calculations	2008	Luigi Genovese Alexey Neelov Stefan Goedecker Thierry Deutsch S. Alireza Ghasemi Alexander Willand Damien Caliste Oded Zilberberg M. J. Rayson Anders Bergman	5
+ PDF Chat	Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation	2011	Lin Lin Jianfeng Lu Lexing Ying E Weinan	4
+ PDF Chat	Real-space mesh techniques in density-functional theory	2000	Thomas L. Beck	4
+ PDF Chat	DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization	2022	Sambit Das Phani Motamarri Vishal Subramanian David Rogers Vikram Gavini	4
+ PDF Chat	Daubechies wavelets for high performance electronic structure calculations: The BigDFT project	2010	Luigi Genovese Brice Videau Matthieu Ospici Thierry Deutsch Stefan Goedecker Jean‐François Méhaut	4
+	Real time time-dependent density functional theory using higher order finite-element methods	2019	Bikash Kanungo Vikram Gavini	3
+ PDF Chat	Real-space formulation of orbital-free density functional theory using finite-element discretization: The case for Al, Mg, and Al-Mg intermetallics	2015	Sambit Das Mrinal Iyer Vikram Gavini	3
+	Discrete discontinuous basis projection method for large-scale electronic structure calculations	2018	Qimen Xu Phanish Suryanarayana John E. Pask	3
+ PDF Chat	Spectrum-splitting approach for Fermi-operator expansion in all-electron Kohn-Sham DFT calculations	2017	Phani Motamarri Vikram Gavini Kaushik Bhattacharya M. Ortíz	3
+ PDF Chat	The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation	2002	José M. Soler Emilio Artacho Julian D. Gale Alberto Garcı́a Javier Junquera Pablo Ordejón Daniel Sánchez‐Portal	3
+ PDF Chat	Optimized norm-conserving Vanderbilt pseudopotentials	2013	D. R. Hamann	3
+ PDF Chat	Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems	2015	Xavier Andrade David A. Strubbe Umberto De Giovannini Ask Hjorth Larsen Micael J. T. Oliveira Joseba Alberdi‐Rodriguez Alejandro Varas Ίρις Θεοφίλου N. Helbig Matthieu J. Verstraete	3
+ PDF Chat	Higher-order adaptive finite-element methods for orbital-free density functional theory	2012	Phani Motamarri Mrinal Iyer Jaroslaw Knap Vikram Gavini	3
+ PDF Chat	SPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory: Extended systems	2017	Swarnava Ghosh Phanish Suryanarayana	3
+ PDF Chat	The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table	2018	Michiel J. van Setten Matteo Giantomassi Éric Bousquet Matthieu J. Verstraete D. R. Hamann Xavier Gonze Gian‐Marco Rignanese	3
+ PDF Chat	Adaptive Finite Element Approximations for Kohn--Sham Models	2014	Huajie Chen Xiaoying Dai Xingao Gong Lianhua He Aihui Zhou	3
+ PDF Chat	RESCU: A real space electronic structure method	2015	Vincent Michaud-Rioux Lei Zhang Hong Guo	3
+ PDF Chat	Projector augmented-wave method	1994	Peter E. Blöchl	3
+	Finite element approximations of nonlinear eigenvalue problems in quantum physics	2011	Huajie Chen Lianhua He Aihui Zhou	3
+ PDF Chat	Total-energy global optimizations using nonorthogonal localized orbitals	1995	Jeongnim Kim Francesco Mauri Giulia Galli	3
+ PDF Chat	Electronic-structure study of an edge dislocation in Aluminum and the role of macroscopic deformations on its energetics	2014	Mrinal Iyer Balachandran Radhakrishnan Vikram Gavini	2
+ PDF Chat	Compressed modes for variational problems in mathematics and physics	2013	Vidvuds Ozoliņš Rongjie Lai Russel E. Caflisch Stanley Osher	2
+	A Comparative Study on Methods for Convergence Acceleration of Iterative Vector Sequences	1996	Volker Eyert	2
+ PDF Chat	Coarse-graining Kohn–Sham Density Functional Theory	2012	Phanish Suryanarayana Kaushik Bhattacharya M. Ortíz	2
+	Two-Level Chebyshev Filter Based Complementary Subspace Method: Pushing the Envelope of Large-Scale Electronic Structure Calculations	2018	Amartya Banerjee Lin Lin Phanish Suryanarayana Chao Yang John E. Pask	2
+ PDF Chat	<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>O</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>N</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>Krylov-subspace method for large-scale<i>ab initio</i>electronic structure calculations	2006	Taisuke Ozaki	2
+ PDF Chat	Configurational forces in electronic structure calculations using Kohn-Sham density functional theory	2018	Phani Motamarri Vikram Gavini	2
+ PDF Chat	\mathcal{O}(N) methods in electronic structure calculations	2012	David R. Bowler Tsuyoshi Miyazaki	2
+ PDF Chat	Orbital-free density functional theory study of the energetics of vacancy clustering and prismatic dislocation loop nucleation in aluminium	2016	Balachandran Radhakrishnan Vikram Gavini	2
+ PDF Chat	Accelerating atomic orbital-based electronic structure calculation via pole expansion and selected inversion	2013	Lin Lin Mohan Chen Chao Yang Lixin He	2
+ PDF Chat	Multilevel domain decomposition for electronic structure calculations	2006	Maxime Barrault Éric Cancès William W. Hager Claude Le Bris	2
+ PDF Chat	Numerical Analysis of Nonlinear Eigenvalue Problems	2010	Éric Cancès Rachida Chakir Yvon Maday	2
+ PDF Chat	Parallel eigensolvers in plane-wave Density Functional Theory	2014	Antoine Levitt Marc Torrent	2
+	Numerical approximations of a nonlinear eigenvalue problem and applications to a density functional model	2010	Huajie Chen Xingao Gong Aihui Zhou	2
+ PDF Chat	Electronic structure study of screw dislocation core energetics in Aluminum and core energetics informed forces in a dislocation aggregate	2017	Sambit Das Vikram Gavini	2
+ PDF Chat	Pole-Based approximation of the Fermi-Dirac function	2009	Lin Lin Jianfeng Lu Lexing Ying E Weinan	2
+ PDF Chat	Dislocation Core Energies and Core Fields from First Principles	2009	Emmanuel Clouet Lisa Ventelon F. Willaime	2
+	An Introduction to the Conjugate Gradient Method Without the Agonizing Pain	1994	Jonathan Richard Shewchuk	2
+ PDF Chat	<i>Ab Initio</i>Study of Screw Dislocations in Mo and Ta: A New Picture of Plasticity in bcc Transition Metals	2000	Sohrab Ismail‐Beigi T. A. Arias	2
+	A Krylov--Schur Algorithm for Large Eigenproblems	2002	G. W. Stewart	2