-
to be coupled to model-free analysis of molecular dynamics simulations. This includes work in the biochemical wet-lab as well as with prototype NMR spectroscopy and computational tasks. You have previous
-
to tackle this ambitious challenge by developing and applying new software tools that combine machine learning methodology, electronic structure theory, and molecular dynamics methodology to simulate
-
with programming (e.g. Python, Julia), simulation methods (e.g. molecular and quantum dynamics) and tensor network calculus. What we offer: In the Maurer group, we aim to develop computational simulation
-
first principles-based simulations for the description of chemical and structural dynamics in the context of surface chemistry, and photoelectrocatalysis. The project takes place in a large and vibrant