AM Seminar: Machine Learning in Molecular Simulations: From Free Energy to Vibrational Spectroscopy
Presenter: Marcos Calegari Andrade, Assistant Professor, Chemistry and Biochemistry, UC Santa Cruz Description: In this talk, I will demonstrate how neural networks can represent the high-dimensional potential energy surfaces of many-body systems. By achieving the accuracy of first-principles quantum calculations at a fraction of the computational cost, these models enable atomistic simulations of condensed matter […]