John E. Pask

16 papers A 1B 1Journal 14
YearRankTypeTitle / Venue / Authors
2025 J jnl
Spectral scheme for atomic structure calculations in density functional theory.
Comput. Phys. Commun.
Sayan Bhowmik, John E. Pask, Andrew J. Medford, Phanish Suryanarayana
2024 J jnl
High-order finite element method for atomic structure calculations.
Comput. Phys. Commun.
Ondrej Certík, John E. Pask, Isuru Fernando, Rohit Goswami, N. Sukumar, Lee A. Collins, Gianmarco Manzini, Jirí Vackár
2024 A conf
Many-Body Electronic Correlation Energy using Krylov Subspace Linear Solvers.
SC
Shikhar Shah, Boqin Zhang, Hua Huang, John E. Pask, Phanish Suryanarayana, Edmond Chow
2024 J jnl
SPARC v2.0.0: Spin-orbit coupling, dispersion interactions, and advanced exchange-correlation functionals.
Softw. Impacts
Boqin Zhang, Xin Jing, Qimen Xu, Shashikant Kumar, Abhiraj Sharma, Lucas Erlandson, Sushree Jagriti Sahoo, Edmond Chow, Andrew J. Medford, John E. Pask, Phanish Suryanarayana
2023 J jnl
Soft and transferable pseudopotentials from multi-objective optimization.
Comput. Phys. Commun.
Mostafa Faghih Shojaei, John E. Pask, Andrew J. Medford, Phanish Suryanarayana
2021 J jnl
SPARC: Simulation Package for Ab-initio Real-space Calculations.
SoftwareX
Qimen Xu, Abhiraj Sharma, Benjamin M. Comer, Hua Huang, Edmond Chow, Andrew J. Medford, John E. Pask, Phanish Suryanarayana
2019 J jnl
Alternating Anderson-Richardson method: An efficient alternative to preconditioned Krylov methods for large, sparse linear systems.
Comput. Phys. Commun.
Phanish Suryanarayana, Phanisri P. Pratapa, John E. Pask
2018 J jnl
SQDFT: Spectral Quadrature method for large-scale parallel O(N) Kohn-Sham calculations at high temperature.
Comput. Phys. Commun.
Phanish Suryanarayana, Phanisri P. Pratapa, Abhiraj Sharma, John E. Pask
2018 J jnl
TopoMS: Comprehensive topological exploration for molecular and condensed-matter systems.
J. Comput. Chem.
Harsh Bhatia, Attila Gyulassy, Vincenzo Lordi, John E. Pask, Valerio Pascucci, Peer-Timo Bremer
2017 J jnl
Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations.
J. Comput. Phys.
Gaigong Zhang, Lin Lin, Wei Hu, Chao Yang, John E. Pask
2016 J jnl
Anderson acceleration of the Jacobi iterative method: An efficient alternative to Krylov methods for large, sparse linear systems.
J. Comput. Phys.
Phanisri P. Pratapa, Phanish Suryanarayana, John E. Pask
2016 B conf
Interactive exploration of atomic trajectories through relative-angle distribution and associated uncertainties.
PacificVis
Harsh Bhatia, Attila Gyulassy, Valerio Pascucci, Martina Bremer, Mitchell T. Ong, Vincenzo Lordi, Erik W. Draeger, John E. Pask, Peer-Timo Bremer
2016 J jnl
Spectral Quadrature method for accurate O(N) electronic structure calculations of metals and insulators.
Comput. Phys. Commun.
Phanisri P. Pratapa, Phanish Suryanarayana, John E. Pask
2015 J jnl
A projected preconditioned conjugate gradient algorithm for computing many extreme eigenpairs of a Hermitian matrix.
J. Comput. Phys.
Eugene Vecharynski, Chao Yang, John E. Pask
2013 J jnl
Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations.
J. Comput. Phys.
Yunfeng Cai, Zhaojun Bai, John E. Pask, N. Sukumar
2013 J jnl
dftatom: A robust and general Schrödinger and Dirac solver for atomic structure calculations.
Comput. Phys. Commun.
Ondrej Certík, John E. Pask, Jirí Vackár