About the project:
Multiscale Molecular Dynamics: a mathematical exploration of coarse-graining
Supervisor: Dr Thomas Hudson, University of Warwick
When applied to molecular dynamics simulations of large numbers of atoms, coarse-graining approaches seek to reduce of the number of degrees of freedom in a material model, thereby reducing computational costs and the environmental impact while maintaining accuracy.
Although such approaches are widely used, there is still much theoretical development needed to assess the accuracy and efficiency of these approaches.
This project therefore seeks to study the mathematical theory behind coarse-graining approaches, providing new understanding of the size and sources of errors committed when they are used. The project will involve both development of mathematical theory in concert with careful numerical experiments.
About HetSys: Harnessing Data, Modelling and Simulation for Real‑World Impact
HetSys (Centre for Doctoral Training in Modelling of Heterogeneous Systems) at the University of Warwick is an innovative, interdisciplinary fully funded PhD programme that brings together science, engineering, and mathematics to tackle some of the most pressing challenges of our time.
If you’re excited by the idea of using advanced modelling and simulation to solve complex, real‑world problems, HetSys offers the perfect environment to push boundaries and make a difference.
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