John E. Pask

According to our database, John E. Pask authored at least 16 papers between 2013 and 2025.

Collaborative distances:

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

2025

Spectral scheme for atomic structure calculations in density functional theory.

Sayan Bhowmik, John E. Pask, Andrew J. Medford, Phanish Suryanarayana

Comput. Phys. Commun., 2025

2024

SPARC v2.0.0: Spin-orbit coupling, dispersion interactions, and advanced exchange-correlation functionals.

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

Softw. Impacts, 2024

High-order finite element method for atomic structure calculations.

Ondrej Certík, John E. Pask, Isuru Fernando, Rohit Goswami, N. Sukumar, Lee A. Collins, Gianmarco Manzini, Jirí Vackár

Comput. Phys. Commun., 2024

Many-Body Electronic Correlation Energy using Krylov Subspace Linear Solvers.

Shikhar Shah, Boqin Zhang, Hua Huang, John E. Pask, Phanish Suryanarayana, Edmond Chow

Proceedings of the International Conference for High Performance Computing, 2024

2023

Soft and transferable pseudopotentials from multi-objective optimization.

Mostafa Faghih Shojaei, John E. Pask, Andrew J. Medford, Phanish Suryanarayana

Comput. Phys. Commun., 2023

2021

SPARC: Simulation Package for Ab-initio Real-space Calculations.

Qimen Xu, Abhiraj Sharma, Benjamin M. Comer, Hua Huang, Edmond Chow, Andrew J. Medford, John E. Pask, Phanish Suryanarayana

SoftwareX, 2021

2019

Alternating Anderson-Richardson method: An efficient alternative to preconditioned Krylov methods for large, sparse linear systems.

Phanish Suryanarayana, Phanisri P. Pratapa, John E. Pask

Comput. Phys. Commun., 2019

2018

TopoMS: Comprehensive topological exploration for molecular and condensed-matter systems.

Harsh Bhatia, Attila Gyulassy, Vincenzo Lordi, John E. Pask, Valerio Pascucci, Peer-Timo Bremer

J. Comput. Chem., 2018

SQDFT: Spectral Quadrature method for large-scale parallel O(N) Kohn-Sham calculations at high temperature.

Phanish Suryanarayana, Phanisri P. Pratapa, Abhiraj Sharma, John E. Pask

Comput. Phys. Commun., 2018

2017

Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations.

Gaigong Zhang, Lin Lin, Wei Hu, Chao Yang, John E. Pask

J. Comput. Phys., 2017

2016

Anderson acceleration of the Jacobi iterative method: An efficient alternative to Krylov methods for large, sparse linear systems.

Phanisri P. Pratapa, Phanish Suryanarayana, John E. Pask

J. Comput. Phys., 2016

Spectral Quadrature method for accurate O(N) electronic structure calculations of metals and insulators.

Phanisri P. Pratapa, Phanish Suryanarayana, John E. Pask

Comput. Phys. Commun., 2016

Interactive exploration of atomic trajectories through relative-angle distribution and associated uncertainties.

Harsh Bhatia, Attila Gyulassy, Valerio Pascucci, Martina Bremer, Mitchell T. Ong, Vincenzo Lordi, Erik W. Draeger, John E. Pask, Peer-Timo Bremer

Proceedings of the 2016 IEEE Pacific Visualization Symposium, 2016

2015

A projected preconditioned conjugate gradient algorithm for computing many extreme eigenpairs of a Hermitian matrix.

Eugene Vecharynski, Chao Yang, John E. Pask

J. Comput. Phys., 2015

2013

Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations.

Yunfeng Cai, Zhaojun Bai, John E. Pask, N. Sukumar

J. Comput. Phys., 2013

dftatom: A robust and general Schrödinger and Dirac solver for atomic structure calculations.

Ondrej Certík, John E. Pask, Jirí Vackár

Comput. Phys. Commun., 2013