10.6084/m9.figshare.6102677.v1
Mark Gordon
Mark
Gordon
Theresa Windus
Theresa
Windus
Thomas Crawford
Thomas
Crawford
David Sherrill
David
Sherrill
Lyudmila Slipchenko
Lyudmila
Slipchenko
Todd Martinez
Todd
Martinez
SSI: Removing Bottlenecks in High-Performance Computational Science
figshare
2018
NSF-SI2-2018-Talk
Quantum Chemistry
High-Performance Computing
Computational Chemistry
Molecular Physics
Quantum Chemistry
2018-04-05 17:57:24
Journal contribution
https://figshare.com/articles/journal_contribution/SSI_Removing_Bottlenecks_in_High-Performance_Computational_Science/6102677
<div>This project presents an integrated computational science approach to very high quality electronic structure and dynamics calculations that will (a) be broadly accessible to both the development and applications communities, (b) have the capability to address problems of great interest, such as the properties of liquids and solvent effects, and photochemical/photobiological dynamics with high accuracy, (c) provide interoperability and sustainability into the foreseeable future, and (d) solve bottlenecks including power consumption using accelerators.</div><div><br></div><div></div><div><div></div></div>