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Raymond Atta-Fynn

Institution
The University of Texas at Arlington

Projects

Development of 1st principles dynamics with exact exchange and spin-orbit ZORA

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Eric Bylaska
Project type
Large-Scale EMSL Research
1st principles methods of dynamical simulation will be developed that can treat the complex chemistry of actinide elements. In developing new solvers, emphasis will be placed on methods that will…