Seminars

Room: Meeting ID: 912 7296 6563 | Passcode: 057467

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]
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