MaZe: A New Approach for Simulating Adiabatic Systems - Lecture

Explore a cutting-edge approach for simulating adiabatic systems in this 39-minute lecture by Sara Bonella at the Erwin Schrödinger International Institute for Mathematics and Physics. Delve into the Mass-Zero (MaZe) Constrained Dynamics, a powerful formalism for simulating systems where energy function minimization is crucial for defining the dynamics of physical degrees of freedom. Discover how MaZe imposes minimum conditions as constraints on auxiliary variables, treating them as zero-inertia degrees of freedom driven by the physical system. Examine the method's Lagrangian framework formulation, which provides a consistent dynamical and statistical perspective. Learn about various applications of MaZe, including first principles molecular dynamics based on orbital-free density functional theory and classical polarizable models. Gain insights into recent developments enabling the study of ionic transport in classical polarizable systems under external magnetic fields. Enhance your understanding of advanced simulation techniques in physics and chemistry through this comprehensive overview of the MaZe approach and its diverse applications.