I am moving to Texas Tech University as the Robert A. Welch Chair in
Chemistry and have several positions available for post-doctoral
associates. The research will involve development and application of
classical, semi-classical, and mixed classical/quantum time-dependent
methods using QM and QM/MM direct dynamics and standard analytic potential
energy function dynamics. The problems to be investigated include:
* Atomic-level mechanisms of organic reactions and enzyme catalysis
* Energy transfer and chemical reaction in collisions of radicals and
ions with organic surfaces
* Fragmentation of peptide ions by surface-induced dissociation (SID)
* Adhesion, friction, and heat transfer at interfaces
The research includes extensive collaborations with computer scientists to
incorporate modern software engineering and parallel/distributed computing
concepts into the simulations.
Please contact me at <mailto:[log in to unmask]>[log in to unmask] if you are
interested in one of these positions.
Best regards, Bill Hase
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