Presentation Information

[15p-WL1_301-7]Application of Machine Learning for Accelerating and Automated Analysis of Molecule Simulation

〇Kenji Yasuoka1 (1.Keio Univ.)

Keywords:

Molecular Simulation,Machine Learning

We developed a method to predict long-term data from short-term data in molecular dynamics simulations using machine learning. We also proposed automated data analysis techniques through unsupervised and supervised learning. We will introduce these approaches in our presentation.