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Van Quan Vuong

Contact

VUONGV@ORNL.GOV

Publications

November 2020

Density-functional tight-binding for phosphine-stabilized nanoscale gold clusters

Journal: Chemical Science

February 2020

Protein Molecular Dynamics Simulations with Approximate QM: What Can We Learn?

Book: Quantum Mechanics in Drug Discovery (pages: 149 to 161)

June 2019

Density-Functional Tight-Binding for Platinum Clusters and Bulk: Electronic vs Repulsive Parameters…

Journal: MRS Advances

June 2019

Artificial neural network correction for density-functional tight-binding molecular dynamics…

Journal: MRS Communications

April 2019

The Fragment Molecular Orbital Method Based on Long-range Corrected Density-functional Tight-binding

Journal: Journal of Chemical Theory and Computation

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