Postdoctoral Research Associate in Algorithms and Software for Molecular Simulation
A
Post-Doctoral Research Associate position is available as part of a
US-UK research consortium funded by the US National Science Foundation
and the UK's Engineering and Physical Sciences Research Council. The
consortium will design a library of software tools for molecular
integration incorporating knowledge of reaction coordinates and
data-driven algorithms for controlling molecular dynamics. The project
will involve collaboration with chemists, physicists, computer
scientists and mathematicians on both sides of the Atlantic and will
specifically address:
• Analysis of algorithms, including
mathematical analysis using asymptotic expansions applied to stochastic
differential equations.
• Design of advanced canonical sampling strategies based on biasing/unbiasing molecular trajectories.
• Collaboration with researchers in various fields to develop molecular modelling software.
• Numerical analysis, structured software development, software testing for reliability and efficiency, and dissemination.
• Interface to existing molecular software packages.
The
post is available on a fixed term basis for 2 years, with possible
extension for 6 months by mutual agreement. Informal enquiries to
Professor Ben Leimkuhler, b.leimkuhler@ed.ac.uk.
Person specification:
PhD in mathematics, physics or related subject with mathematical training.
Some knowledge of molecular dynamics and thermodynamics.
Interest in molecular dynamics algorithm and software development.
Strong computing skills.
Well organized and self-motivated.
Excellent communication skills (outgoing personality).
Ability to travel.
