Physics – Condensed Matter – Materials Science
Scientist
Physics
Condensed Matter
Materials Science
Scientist
Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, MN 55455, USA
A linear response approach to the calculation of the effective interaction parameters in the LDA+U method
A unified electrostatic and cavitation model for first-principles molecular dynamics in solution
Density functional theory in transition-metal chemistry: a self-consistent Hubbard U approach
Electronic-enthalpy functional for finite systems under pressure
Extended DFT+U+V method with on-site and inter-site electronic interactions
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