Seminar: Machine Learning for Force Field Parameterization – Application to 2D Materials
Title: Machine learning for force field parameterization -- Application to 2D materials Speaker: Horacio Espinosa (Northwestern University) Abstract: The parameterization of interatomic potentials for molecular dynamics (MD) simulations has long been a highly-specialized endeavor requiring strong domain expertise and in most cases deep chemical intuition. We propose a robust approach incorporating multi-objective genetic algorithms and […]
