David A. Kofke

PhD

David A. Kofke

PhD

David A. Kofke

PhD

Research Topics

Statistical physics; molecular modeling and simulation; software engineering

Contact Information

510 Furnas Hall

Buffalo NY, 14260

Phone: (716) 645-1173

Fax: (716) 645-3822

kofke@buffalo.edu

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Research Interests

  • Molecular and engineering thermodynamics
  • Calculation of free energy and phase equilibria by molecular simulation
  • Applications to phase behavior in solids and analysis of crystal stability
  • Calculation of cluster integrals, with application to modeling of dense gases and supercritical fluids
  • Integration of cluster-based methods with ab initio computational chemistry
  • Development and application of object-oriented software for molecular modeling

Projects

11/2/17
Engineers need good physical property data to design new materials and processes. With decades of advances in computing hardware and algorithms behind us, the ability to compute these properties from fundamental physics is coming within reach.

David Kofke in the news