1 citations · 1 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2022★ 1 cited
Experiences with managing data parallel computational workflows for High-throughput Fragment Molecular Orbital (FMO) Calculations
Dimuthu Wannipurage, Indrajit Deb, Eroma Abeysinghe +4
Fragment Molecular Orbital (FMO) calculations provide a framework to speed up quantum mechanical calculations and so can be used to explore structure-energy relationships in large…
physics.comp-ph2020
A Science Gateway for Atomic and Molecular Physics
Barry I. Schneider, Klaus~Bartschat, Oleg Zatsarinny +7
We describe the creation of a new Atomic and Molecular Physics science gateway (AMPGateway). The gateway is designed to bring together a subset of the AMP community to work collect…