CP2K: Running Ab Initio Molecular Dynamics Simulations

Presented by: USC Center for Advanced Research Computing

An introduction to computational tools implemented within the CP2K program package. The most standard methods as well as some of the more advanced features will be introduced by overviews of background theory and through examples of application, while encouraging modular, flexible, and problem-oriented thinking. Recurring topics in the workshop are the scaling of algorithms, the combination of different levels of theory and of sampling, and tools and strategies for the analysis of results. This ongoing workshop is currently running on Wednesdays during the Spring 2021 semester.

Location: Zoom

WebCast Link: https://usc.zoom.us/meeting/register/tJYude2rrTgpE9x5UfcFT-A43bnb0bge6mXQ?_x_zm_rtaid=xZh9bx0ZQj2HvOQk_K22MQ.1617059562291.996419a413f45cbe5cd4cba5bd6ed61c&_x_zm_rhtaid=83

Audiences: Everyone Is Invited

Contact: Center for Advanced Research Computing