Projects Archive

Bachelor/Master Project

Modeling out-of-equilibrium colloidal patchy particle architectures

The student will conduct large scale simulations of patchy particles, using transition path sampling, in order to understand rare transitions in active colloidal systems.

Peter Bolhuis November 11, 2020

Bachelor Project

Computing gradients and Hessian for planar molecules with out-of-plane potentials

Derivation of analytical second derivatives with respect to position and strain for the out-of-plane and Wilson potential. First and second derivatives of angle-dependent potentials are very tedious to derive (using application of chain-rules for derivatives), but very useful in molecular simulations.

David Dubbeldam October 28, 2020