Seminars

Location: https://zoom.us/j/91272966563?pwd=eGo0V2Mrd3pwOXVaVXJ0VklGd041QT09

The End of Ab Initio MD

A new computational task has been defined and solved over the past 15 years for extended material systems: the analytic fitting of the Born-Oppenheimer potential energy surface as a function of nuclear coordinates under the assumption of medium-range interactions, 5 ~ 10 Å. [more]
Go to Editor View