"Computational Materials Science" - attempts to mold modern theories of materials phenomena and their computational solution in order to predict properties and characterize materials.

• Thermodynamics and chemistry of materials via electronic-structure based methods, e.g., structual-ordering transitions in and properties of multicomponent alloys
• Mechanical properties by integration of generalized defect energy surfaces and mesoscale dislocation mechanics
• Multiscale modeling for spatial and temporal scales
• Energy-storage and catalytic properties of supported nanoassemblies
• New computational methods and algorithms to perform reliable materials discover and/or design

• Ph.D. Physics, University of Cincinnati, OH, 1985
• B.Sc. Physics, University of Cincinnati, 1980

• 2010 - present F. Wendell Professor of Energy Sciences, Department of Materials Science and Engineering, and Ames Laboratory Chief Research Officer, Iowa State University
• 1997 - 2010 Ivan Racheff Professor, Materials Science and Engineering, Physics and Mechanical Engineering, and Director of National Science Foundation supported Materials Computation Center, University of Illinois-Champaign
• 1988 - 1997 Senior Research Scientist, Sandia National Laboratories, Livermore, California
• 1987 - 1988 National Research Post-Doctoral Fellowship, Naval Reserach Laboratory
• 1985 - 1986 Post-Doctoral Fellowship, University of Bristol, England

• 2010 - present F. Wendell Miller Professor of Energy Science, Iowa State University
• 2010 - 2013 Invited Professor, Ecole Centrale Paris
• 2010 - 2012 Special Editor for Computer Physics Communication
• 2010 DoE Hydrogen Program 2010 "Special Recognition Award" for the Metal-Hydride Center of Excellence "In Recognition of Outstanding Contributions to the Department of Energy
• 2009 - 2010 Ivan Racheff Professor of Materials Science, University of Illinois-Champaign
• 2009 NCSA Faculty Fellow, University of Illinois-Champaign
• 2008 - 2010 Chair-Elect, Division of Computational Physics, American Physical Society
• 2008 Member-at-Large (elected), Division of Computational Physics, American Physical Society
• 2006 Silver "Humie" Award, with student K. Sastry, human competitive award at the Genetic and Evolutionary Computation Conference and Best Paper in Real World Applications track
• 2005 - 2009 Bliss Faculty Scholar, University of Illinois-Champaign
• 2005 Listed in Who's Who in America
• 2004 Xerox Award for Faculty Research, University of Illinois-Champaign
• 2003 Fellow, American Physical Society
• 2000 - 2010 Member, Materials Science Critical Technology Sector/Phase Transitions, American Society of Metals
• 2000 Collins Scholar, Academy for Excellence in Engineering Education, University of Illinois-Champaign
• 1997 North Atlantic Treaty Organization (AGARD) Invited Lecturer
• 1997 Editorial Board, "Methods in Materials Science"
• 1993 Award for Excellence, Sandia National Laboratories
• 1987 - 1988 National Research Council Post-Doctoral Fellow
• 1983 - 1984 Thesis Research Fellowship, Oak Ridge National Laboratory