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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
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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
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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
Searches related to molecular dynamic simulation
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