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Gygi Research Group at UC Davis. Welcome to the Electronic Structure Laboratory at the University of California Davis. The course ECS289K Introduction to Quantum Simulations. And the Qbox source repository.
We provide a table of atomic potentials. For use in first-principles molecular dynamics simulations. Potentials are accessible in XML form for XML-aware software packages. We are building a collection of reference data. For validation and verification of first-principles simulation programs. We provide examples of Qbox simulations for selected simulation projects.
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