Professor Ben Leimkuhler

Chair in Applied Mathematics
School of Mathematics

I study fundamental principles underpinning algorithms for dynamical simulation. My recent work has included: accelerated sampling of molecular dynamics; extended variable (e.g. Andersen/Nose) molecular dynamics; geometric integrators for physical and chemical applications, including Coulombic N-body dynamics with close encounters, constrained dynamics, rigid body systems; hard-sphere billiards; time/coordinate transformations for adaptive geometric integration; multiple time-scale integration methods based on averaging; applications of molecular algorithms in materials simulation and bio-molecular modelling.

For further information, please see individual pages through Edinburgh Research Explorer 

Professor Ben Leimkuhler

Professor Ben Leimkuhler