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Contribution

ICTP - LB (Euler Lecture Hall)

Discussion Session I

Speakers

Description

on electronic structure computations and the development of MD potentials. Questions: 1a: What is the role of electronic excited states and how can effects of electronic excitation be included in the models and data? 1b: Are we satisfied with present strategies for the development of MD potentials from electronic structure calculations?

Organizers

B.J. Braams, H.K. Chung.
ICTP Local Organizer: S. Scandolo

Co-sponsors