Gelb Research Group at Washington University in St. Louis

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Positions Open (Fall 2009)


Position #1: First-principles Monte Carlo simulations of phase equilibria

Fluid phase equilibria at extreme conditions will be studied with Monte Carlo simulations based on first-principles (ab initio) energy evaluations. These methods will be applied in a survey of the high-temperature fluid phase behavior of elemental systems across the periodic table, including liquid-liquid and liquid-vapor transitions in lithium and sodium, boron, carbon, phosphorous, and sulfur and selenium. The solubility of various elements in liquid metals will also be considered, and later work will extend to molecular fluids and coupled chemical and phase equilibria. This work is supported by the National Science Foundation.

Applicants for this position should have some experience in molecular simulation and a good understanding of statistical thermodynamics. Expertise with first-principles methods, especially density functional theories, is highly desirable but not absolutely necessary. The initial appointment will be for one year, renewable for additional years by mutual consent. This position is available starting immediately.

For further information, or to apply, please contact:

Dr. Lev Gelb
gelb@wustl.edu
http://www.chemistry.wustl.edu/faculty/gelb/
Department of Chemistry,
Washington University, Campus Box 1134
St. Louis, MO 63130 USA



Department of Chemistry and Center for Materials Innovation
Washington University in St. Louis
Last modification: Wed Aug 26 11:16:35 2009
gelb@wustl.edu