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Ben Leimkuhler

Prof Ben Leimkuhler

People Details

University of Edinburgh
0131 650 4882
JCMB 6322
Personal Website: 

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.

I am always looking for research students who wish to work on projects involving numerical methods, dynamical systems and the application of mathematics to science and engineering. At the beginning it is not essential to have a specialised preparation, but it is crucial that any student I work with be strongly motivated to explore ideas from both theoretical and practical perspectives. By combining theoretical insight with an understanding of practical aspects, my previous PhD students have done well at securing academic positions.