Machine Learning Potentials with AMS2020: live Q&A
Matti will demonstrate how easy it is with the 2020 release of the Amsterdam Modeling Suite to install the machine learning backends to the AMS driver, and run quick geometry optimizations of organic molecules with the neural network potential ANI-2x. He will also discuss how to assess the accuracy of the thermochemical predictions.
Join the machine learning potential demo premiere this Friday 6 November, 4pm for a live Q&A!
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Key conceptsgeometry optimization machine learning