Henry Snowden
I am a 2nd year PhD student working within Prof Maurer's group. We specialize in non-adiabatic quantum chemistry with a focus on surface and light-driven chemistry. My personal interests are focussed on the light-matter interactions and how light is harvested by materials to then be converted to useful chemical energy.
Sessions
Here we present, LightMatter.jl, a flexible and efficient framework for simulations of nonequilibrium dynamics triggered by light. By leveraging Julia’s powerful metaprogramming capabilities, it dynamically assembles and propagates user-defined scattering equations for different physical processes, offering fine control over accuracy and computational cost. Herein, I present its application in the study of laser-driven electron and phonon equilibration in metals.
The NQCDynamics.jl performs semiclassical and mixed quantum–classical molecular dynamics simulations of chemical reaction dynamics. It hosts modular packages designed to enable developing new methods and production-level simulations. The code hosts common models and provides interfaces to existing atomistic simulation frameworks, such as ASE and machine learning representations. Here we present the code design that benefits from Julia features and recent research use cases.