16 citations · 24 across the 4 of their papers we have counts for
4 papers
Leveraging the Super Instruction Architecture to Develop Massively Parallel Computational and Environmental Chemistry Applications
Jason N. Byrd, Stephen E. Masters, Douglas S. Burns +2
The task of developing high performing parallel software must be made easier and more cost effective in order to fully exploit existing and emerging large scale computer systems fo…
Computing solvated excited states using fragment-effective-field coupled-cluster perturbation theory with application to the electronic spectra of nucleobases in water
Jason N. Byrd, Robert W. Molt, Rodney J. Bartlett +1
Molecular fragment or embedding methods are powerful techniques for overcoming scalability limitations in electronic structure theory by dividing large molecular systems into indiv…
Predictive coupled-cluster isomer orderings for some SiC () clusters; A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks
Jason N. Byrd, Jesse J. Lutz, Yifan Jin +7
The accurate determination of the preferred isomer is important to guide experimental efforts directed towards synthesizing SiC nano-wires and related p…
Molecular Cluster Perturbation Theory. I. Formalism
Jason N. Byrd, Nakul Jindal, Robert W. Molt +3
We present second-order molecular cluster perturbation theory (MCPT(2)), a linear scaling methodology to calculate arbitrarily large systems with explicit calculation of individual…