Yuri Alexeev
Institution
Universite Louis Pasteur Strasbourg
Projects
Ab initio calculations of GTP hydrolysis by using NWChem and TAO components
Lead Institution
Iowa State University
Principal Investigator
Theresa Windus
Project type
Capability Research
Ab initio calculations of GTP hydrolysis by using NWChem and TAO components
Lead Institution
Iowa State University
Principal Investigator
Theresa Windus
Project type
Exploratory Research
(gc3565)Reliable Electronic Structure Prediction of Molecular Properties
Lead Institution
University of Alabama
Principal Investigator
David Dixon
Project type
Capability Research
(gc3566)Direct Dynamics Simulations: From Molecules to Macromolecules and Condensed Phases
Lead Institution
Texas Technical University
Principal Investigator
William Hase
Project type
Capability Research
Common Architecture Chemistry Components for Terascale Simulations
Lead Institution
Sandia National Laboratory
Principal Investigator
Joseph Kenny
Project type
Exploratory Research