Weakly bound water structure, bond valence saturation and water dynamics at the goethite (100) surface/aqueous interface: ab initio dynamical simulations

by Ying Chen, Eric J. Bylaska, John H. Weare
Published 2017-03-01

A Filon-like integration strategy for calculating exact exchange in periodic boundary conditions: a plane-wave DFT implementation

by Eric J Bylaska, Kevin Waters, Eric D Hermes, Judit Zádor, Kevin M Rosso
Published 2020-04-01

Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations

by Eric J. Bylaska, Duo Song, Nicholas P. Bauman, Karol Kowalski, Daniel Claudino, Daniel Claudino, Travis S. Humble, Travis S. Humble
Published 2021-03-01