Opportunity at National Institute of Standards and Technology (NIST)
Development of New Computational Methodologies for Molecular Simulation of Soft Materials
Material Measurement Laboratory, Chemical Sciences Division
Please note: This Agency only participates in the February and August reviews.
|Hatch, Harold Wickes
A wide variety of phenomena in soft matter including phase equilibrium, self-assembly and aggregation are studied in biological materials, colloids, polymers, ionic liquids and other complex fluids using molecular simulations. In order to make these simulations more computationally feasible, development of coarse-grained models and new Monte Carlo or molecular dynamics algorithms for enhanced sampling is essential to bridge length or time scales over many orders of magnitude. Comparison of our simulations with the experimental results of others [e.g., small-angle scattering and (osmotic) virial coefficients] also plays a key role for validation of coarse-grained models as well as interpretation of the experimental results . Finally, the release of our newly developed methodologies  as open source software (e.g., as a plugin for the Free Energy and Advanced Sampling Simulation Toolkit  or for other existing software packages) is encouraged to improve reproducibility and to increase usage by the community.
Molecular simulation; Monte Carlo; Molecular dynamics; Statistical mechanics; Thermodynamics
Open to U.S. citizens
Open to Postdoctoral applicants