John E. Pask

Publication Activity (10 Years)

Years Active: 2013-2024
Publications (10 Years): 11

Top Topics

Interactive Exploration

Classical Methods

Chronological Backtracking

Sparse Linear Systems

Top Venues

Comput. Phys. Commun.

J. Comput. Phys.

Publications

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
SPARC v2.0.0: Spin-orbit coupling, dispersion interactions, and advanced exchange-correlation functionals. Softw. Impacts 20 (2024)
Ondrej Certík, John E. Pask, Isuru Fernando, Rohit Goswami, N. Sukumar, Lee A. Collins, Gianmarco Manzini, Jirí Vackár
High-order finite element method for atomic structure calculations. Comput. Phys. Commun. 297 (2024)
Mostafa Faghih Shojaei, John E. Pask, Andrew J. Medford, Phanish Suryanarayana
Soft and transferable pseudopotentials from multi-objective optimization. Comput. Phys. Commun. 283 (2023)
Qimen Xu, Abhiraj Sharma, Benjamin Comer, Hua Huang, Edmond Chow, Andrew J. Medford, John E. Pask, Phanish Suryanarayana
SPARC: Simulation Package for Ab-initio Real-space Calculations. SoftwareX 15 (2021)
Phanish Suryanarayana, Phanisri P. Pratapa, John E. Pask
Alternating Anderson-Richardson method: An efficient alternative to preconditioned Krylov methods for large, sparse linear systems. Comput. Phys. Commun. 234 (2019)
Harsh Bhatia, Attila Gyulassy, Vincenzo Lordi, John E. Pask, Valerio Pascucci, Peer-Timo Bremer
TopoMS: Comprehensive topological exploration for molecular and condensed-matter systems. J. Comput. Chem. 39 (16) (2018)
Phanish Suryanarayana, Phanisri P. Pratapa, Abhiraj Sharma, John E. Pask
SQDFT: Spectral Quadrature method for large-scale parallel O(N) Kohn-Sham calculations at high temperature. Comput. Phys. Commun. 224 (2018)
Gaigong Zhang, Lin Lin, Wei Hu, Chao Yang, John E. Pask
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. 335 (2017)
Phanisri P. Pratapa, Phanish Suryanarayana, John E. Pask
Spectral Quadrature method for accurate O(N) electronic structure calculations of metals and insulators. Comput. Phys. Commun. 200 (2016)
Harsh Bhatia, Attila Gyulassy, Valerio Pascucci, Martina Bremer, Mitchell T. Ong, Vincenzo Lordi, Erik W. Draeger, John E. Pask, Peer-Timo Bremer
Interactive exploration of atomic trajectories through relative-angle distribution and associated uncertainties. PacificVis (2016)
Phanisri P. Pratapa, Phanish Suryanarayana, John E. Pask
Anderson acceleration of the Jacobi iterative method: An efficient alternative to Krylov methods for large, sparse linear systems. J. Comput. Phys. 306 (2016)
Eugene Vecharynski, Chao Yang, John E. Pask
A projected preconditioned conjugate gradient algorithm for computing many extreme eigenpairs of a Hermitian matrix. J. Comput. Phys. 290 (2015)
Yunfeng Cai, Zhaojun Bai, John E. Pask, N. Sukumar
Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations. J. Comput. Phys. 255 (2013)
Ondrej Certík, John E. Pask, Jirí Vackár
dftatom: A robust and general Schrödinger and Dirac solver for atomic structure calculations. Comput. Phys. Commun. 184 (7) (2013)