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Phanish Suryanarayana, Ph.D. - Publications

Affiliations: 
2011 Aeronautics California Institute of Technology, Pasadena, CA 
Area:
Applied Mathematics
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38 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Kumar S, Jing X, Pask JE, Medford AJ, Suryanarayana P. Kohn-Sham accuracy from orbital-free density functional theory via Δ-machine learning. The Journal of Chemical Physics. 159. PMID 38147461 DOI: 10.1063/5.0180541  0.305
2023 Sharma A, Suryanarayana P. Calculation of phonons in real-space density functional theory. Physical Review. E. 108: 045302. PMID 37978610 DOI: 10.1103/PhysRevE.108.045302  0.484
2023 Thapa B, Jing X, Pask JE, Suryanarayana P, Mazin II. Assessing the source of error in the Thomas-Fermi-von Weizsäcker density functional. The Journal of Chemical Physics. 158. PMID 37259998 DOI: 10.1063/5.0146167  0.367
2023 Sharma A, Metere A, Suryanarayana P, Erlandson L, Chow E, Pask JE. GPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure code. The Journal of Chemical Physics. 158. PMID 37249229 DOI: 10.1063/5.0147249  0.358
2023 Bethkenhagen M, Sharma A, Suryanarayana P, Pask JE, Sadigh B, Hamel S. Properties of carbon up to 10 million kelvin from Kohn-Sham density functional theory molecular dynamics. Physical Review. E. 107: 015306. PMID 36797894 DOI: 10.1103/PhysRevE.107.015306  0.307
2022 Shah S, Suryanarayana P, Chow E. Pseudodiagonalization Method for Accelerating Nonlinear Subspace Diagonalization in Density Functional Theory. Journal of Chemical Theory and Computation. PMID 35608960 DOI: 10.1021/acs.jctc.2c00166  0.378
2022 Xu Q, Jing X, Zhang B, Pask JE, Suryanarayana P. Real-space density kernel method for Kohn-Sham density functional theory calculations at high temperature. The Journal of Chemical Physics. 156: 094105. PMID 35259887 DOI: 10.1063/5.0082523  0.434
2022 Kumar S, Sadigh B, Zhu S, Suryanarayana P, Hamel S, Gallagher B, Bulatov V, Klepeis J, Samanta A. Accurate parameterization of the kinetic energy functional for calculations using exact-exchange. The Journal of Chemical Physics. 156: 024107. PMID 35032977 DOI: 10.1063/5.0065217  0.363
2021 Diaz CM, Suryanarayana P, Xu Q, Baruah T, Pask JE, Zope RR. Implementation of Perdew-Zunger self-interaction correction in real space using Fermi-Löwdin orbitals. The Journal of Chemical Physics. 154: 084112. PMID 33639752 DOI: 10.1063/5.0031341  0.33
2020 Sharma A, Hamel S, Bethkenhagen M, Pask JE, Suryanarayana P. Real-space formulation of the stress tensor for O(N) density functional theory: Application to high temperature calculations. The Journal of Chemical Physics. 153: 034112. PMID 32716199 DOI: 10.1063/5.0016783  0.467
2020 Kumar S, Suryanarayana P. Bending moduli for forty-four select atomic monolayers from first principles. Nanotechnology. PMID 32619990 DOI: 10.1088/1361-6528/Aba2A2  0.37
2020 Xu Q, Sharma A, Suryanarayana P. M-SPARC: MATLAB-Simulation Package for Ab-initio Real-space Calculations Softwarex. 11: 100423. DOI: 10.1016/J.Softx.2020.100423  0.399
2020 Li W, Suryanarayana P, Paulino GH. Accelerated fixed-point formulation of topology optimization: Application to compliance minimization problems Mechanics Research Communications. 103: 103469. DOI: 10.1016/J.Mechrescom.2019.103469  0.338
2020 Kumar S, Xu Q, Suryanarayana P. On preconditioning the self-consistent field iteration in real-space Density Functional Theory Chemical Physics Letters. 739: 136983. DOI: 10.1016/J.Cplett.2019.136983  0.439
2019 Ghosh S, Banerjee AS, Suryanarayana P. Symmetry-adapted real-space density functional theory for cylindrical geometries: Application to large group-IV nanotubes Physical Review B. 100: 125143. DOI: 10.1103/Physrevb.100.125143  0.453
2019 Ghosh S, Suryanarayana P. Electronic structure study regarding the influence of macroscopic deformations on the vacancy formation energy in aluminum Mechanics Research Communications. 99: 58-63. DOI: 10.1016/J.Mechrescom.2019.06.007  0.356
2019 Suryanarayana P, Pratapa PP, Pask JE. Alternating Anderson–Richardson method: An efficient alternative to preconditioned Krylov methods for large, sparse linear systems Computer Physics Communications. 234: 278-285. DOI: 10.1016/J.Cpc.2018.07.007  0.333
2018 Sharma A, Suryanarayana P. On the calculation of the stress tensor in real-space Kohn-Sham density functional theory. The Journal of Chemical Physics. 149: 194104. PMID 30466280 DOI: 10.1063/1.5057355  0.478
2018 Xu Q, Suryanarayana P, Pask JE. Discrete discontinuous basis projection method for large-scale electronic structure calculations. The Journal of Chemical Physics. 149: 094104. PMID 30195317 DOI: 10.1063/1.5037794  0.447
2018 Banerjee AS, Lin L, Suryanarayana P, Yang C, Pask JE. Two-level Chebyshev filter based complementary subspace method: pushing the envelope of large-scale electronic structure calculations. Journal of Chemical Theory and Computation. PMID 29660292 DOI: 10.1021/Acs.Jctc.7B01243  0.473
2018 Sharma A, Suryanarayana P. On real-space Density Functional Theory for non-orthogonal crystal systems: Kronecker product formulation of the kinetic energy operator Chemical Physics Letters. 700: 156-162. DOI: 10.1016/J.Cplett.2018.04.018  0.475
2017 Suryanarayana P. On nearsightedness in metallic systems for O ( N ) Density Functional Theory calculations: A case study on aluminum Chemical Physics Letters. 679: 146-151. DOI: 10.1016/J.Cplett.2017.04.095  0.406
2017 Suryanarayana P, Pratapa PP, Sharma A, Pask JE. SQDFT: Spectral Quadrature method for large-scale parallel O(N) Kohn-Sham calculations at high temperature Computer Physics Communications. 224: 288-298. DOI: 10.1016/J.Cpc.2017.12.003  0.512
2017 Ghosh S, Suryanarayana P. SPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory: Isolated clusters Computer Physics Communications. 212: 189-204. DOI: 10.1016/J.Cpc.2016.09.020  0.488
2016 Pratapa PP, Suryanarayana P. On numerically predicting the onset and mode of instability in atomistic systems Mechanics Research Communications. 78: 27-33. DOI: 10.1016/J.Mechrescom.2016.05.001  0.377
2016 Banerjee AS, Suryanarayana P. Cyclic density functional theory: A route to the first principles simulation of bending in nanostructures Journal of the Mechanics and Physics of Solids. 96: 605-631. DOI: 10.1016/J.Jmps.2016.08.007  0.509
2016 Ghosh S, Suryanarayana P. Higher-order finite-difference formulation of periodic Orbital-free Density Functional Theory Journal of Computational Physics. 307: 634-652. DOI: 10.1016/J.Jcp.2015.12.027  0.539
2016 Pratapa PP, Suryanarayana P, Pask JE. Anderson acceleration of the Jacobi iterative method Journal of Computational Physics. 306: 43-54. DOI: 10.1016/J.Jcp.2015.11.018  0.365
2016 Banerjee AS, Suryanarayana P, Pask JE. Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations Chemical Physics Letters. 647: 31-35. DOI: 10.1016/J.Cplett.2016.01.033  0.429
2016 Pratapa PP, Suryanarayana P, Pask JE. Spectral Quadrature method for accurate O(N) electronic structure calculations of metals and insulators Computer Physics Communications. 200: 96-107. DOI: 10.1016/J.Cpc.2015.11.005  0.467
2015 Pratapa PP, Suryanarayana P. Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations Chemical Physics Letters. 635: 69-74. DOI: 10.1016/J.Cplett.2015.06.029  0.41
2014 Suryanarayana P, Phanish D. Augmented Lagrangian formulation of orbital-free density functional theory Journal of Computational Physics. 275: 524-538. DOI: 10.1016/J.Jcp.2014.07.006  0.546
2013 Suryanarayana P, Bhattacharya K, Ortiz M. Coarse-graining Kohn-Sham Density Functional Theory Journal of the Mechanics and Physics of Solids. 61: 38-60. DOI: 10.1016/J.Jmps.2012.09.002  0.625
2013 Suryanarayana P. On spectral quadrature for linear-scaling Density Functional Theory Chemical Physics Letters. 584: 182-187. DOI: 10.1016/J.Cplett.2013.08.035  0.449
2013 Suryanarayana P. Optimized purification for density matrix calculation Chemical Physics Letters. 555: 291-295. DOI: 10.1016/J.Cplett.2012.10.090  0.389
2012 Suryanarayana P, Bhattacharya K. Evolution of polarization and space charges in semiconducting ferroelectrics Journal of Applied Physics. 111: 34109. DOI: 10.1063/1.3678598  0.501
2011 Suryanarayana P, Bhattacharya K, Ortiz M. A mesh-free convex approximation scheme for Kohn-Sham density functional theory Journal of Computational Physics. 230: 5226-5238. DOI: 10.1016/J.Jcp.2011.03.018  0.623
2010 Suryanarayana P, Gavini V, Blesgen T, Bhattacharya K, Ortiz M. Non-periodic finite-element formulation of Kohn–Sham density functional theory Journal of the Mechanics and Physics of Solids. 58: 256-280. DOI: 10.1016/J.Jmps.2009.10.002  0.641
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