Speaker
Hyun Park
Description
Abstract: In this talk, I will target audience who are interested in understanding the basics of how to train, perform hyperparameter search and infer an ML model for molecular structures such as small molecules or MOFs. Moreover, with a bit of Python programming knowledge, my AI framework can help users who want to learn how to visualize learned molecular representations and highlight atoms important for prediction. I also demonstrate how ML potential can be used to perform molecular dynamics (MD). Overall, the audience can expect to learn comprehensive ML techniques developed and applied for molecular studies.
