Office of Science

Marat Valiev, Ph.D.

Senior Research Scientist, WR Wiley Environmental Molecular Sciences Laboratory, MSC Performance Software
P.O. Box 999, K8-91
Richland, WA 99352
Work: (509) 371-6459 Fax: (509) 371-6445
Updated: March 26, 2007

Current Activities and Projects

  • Development QM/MM capabilities for NWChem
  • Development of hybrid ab-initio and quasicontinuum methods
  • Development of integrated software suite for chemical dynamics
  • Study of microbially-mediated metal reduction processes
  • Study of phosphorylation reaction in protein kinases
  • Study of ion solvation processes

Research Interests

  • Hybrid quantum mechanical and molecular mechanics approaches to large scale biochemical simulations
  • Multiscale methods
  • Mixed plane wave and local basis methods for periodic systems (PAW)
  • Effective action methods

Past Experience

  • 1997-2001 Postgraduate Researcher, UCSD, La Jolla, CA
  • 2001-2003 Project Scientist, UCSD, La Jolla, CA


  • University of Connecticut M.S. 1994 Physics
  • University of Connecticut Ph.D. 1997 Physics

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