Description: This seminar will introduce a new integration of MOES (Multiple Objective Evolution Strategies) with the molecular dynamics (MD) engine LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) that enables scalable optimization of MD potentials with advanced evolutionary algorithms. The MOES+LAMMPS interface preserves the full flexibility of LAMMPS while offering granular runtime control over construction of objective functions. In this training event, we will demonstrate the capabilities of MOES+LAMMPS and step through the process of optimizing an MD potential.

CUI