Marat Valiev, Ph.D.

Senior Research Scientist, WR Wiley Environmental Molecular Sciences Laboratory, High Performance Software Development Send Email Work: (509) 371-6459 Fax: (509) 371-6445 http://emslbios.pnl.gov/id/valiev_m 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
  

Education

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

Publications >View All Publications