Global Optimization of Potential Energy Surfaces using the Minima Hopping Method

by Dr Moritz Gubler (PSI/LMS)

Wednesday 12 Nov 2025, 15:00 → 16:00 Europe/Zurich

OVGA/200

After a short introduction to local variable-cell shape geometry optimization, the seminar will focus on strategies for finding global minima using the Minima Hopping method. A new, user-friendly implementation of this method will be presented, along with applications to putative room-temperature superconductors. In the final part, I will discuss my current project at PSI and introduce an idea for improving iterative diagonalization methods with a new preconditioner.