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UM Chemistry/CROMIUM

Computational Research on Materials Institute at the University of Memphis (CROMIUM) was established in 1998 to promote computational research at the University of Memphis. CROMIUM currently includes faculty members in chemistry, physics, and engineering. CROMIUM faculty teach courses that provide a graduate concentration in computational chemistry for both the M.S. and Ph.D. degrees and in computational physics for the M.S. degree.

Research

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Focus: Develop and apply advanced computational methods to investigate materials from diverse sources, including biopolymers, synthetic polymers, and crystalline and non-crystalline nanomaterials and mesomaterials

Computational Methods: quantum mechanics, molecular mechanics, coupled quantum-mechanics/molecular-mechanics, molecular dynamics, Monte Carlo, and meso-scale modeling

Research Areas: computational structural biology, rational drug design, protein modeling, heterogenous catalyst materials, enzyme active-site biocatalysis, photochromic materials, polymer materials, soft-condensed matters, high dielectric materials, non-linear optics, and diffusion and transport phenomena

Faculty

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  • Nathan DeYonker, CROMIUM Director, Research Scientist
    Computational inorganic chemistry
  • Abby Parrill, Associate Dean & Professor of Chemistry
    Computational bioorganic chemistry; protein modeling and rational ligand design
  • Henry Kurtz, Professor of Chemistry
    High-k Dielectric materials, atom transport, NLO materials, defects in semiconductor materials
  • Yongmei Wang, Professor of Chemistry
    Computational studies of polymer materials, protein structure and dynamics, protein/protein interactions
  • Mohamed Laradji, Associate Professor of Physics
    Computational studies of polymers, lipid membranes, and nanocomposites
  • Donald Bashford, Adjunct Professor of Chemistry and Associate Member, Department of Structural Biology, St. Jude Children's Research Hospital
  • Don Franceschetti, University Professor of Physics and Chemistry
  • John Hochstein, Professor and Chair, Department of Mechanical Engineering
    Computational fluid dynamics applied to surface tension and flow dynamics with free surfaces
  • Alexandra Kikonyogo, Postdoctoral Associate, Parrill Group

Students

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  • Elise Chaffin, Ph.D. student, Huang/Wang group
  • Clayton Davis, M.S. student, Laradji group
  • Jeffery Haugen, Ph.D. student, Wang group
  • Roger Letterman, Ph.D. student, Webster group
  • Lauren Ragle, Ph.D. student, Parrill group

Resources

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The CROMIUM User’s Guide is available for on-campus users.

Please see here for a FAQ on computer related issues.

Courses

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  • CHEM 4415/6415, Computational Chemistry
  • CHEM 7111/8111, Systematic Inorganic Chemistry
  • CHEM 7411/8411, Electronic Structure and Symmetry
  • CHEM 7711/8711, Approximate Chemical Modeling Methods
  • CHEM 7712/8712, Computational Chemistry Programming
  • CHEM 7713/8713, Advanced Solid State Physics and Chemistry
  • PHYS 7200/8200, Quantum Mechanics I
  • PHYS 7201/8201, Quantum Mechanics II
  • PHYS 7385, Methods of Computational Physics
  • PHYS 7520/8520, Statistical Mechanics

Awards and Grants

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  • Parrill and Webster, 2012, National Science Foundation REU Grant
  • Wu, Lanston, and Webster, 2012, Visualization Cluster--Technology Access for Education and Research
  • Wang, Zhao, Fujiwara, Laradji, and Mishra, 2011, National Science Foundation Grant--Tennessee Solar Conversion and Storage Using Outreach, Research, and Education
  • Webster, 2010, National Science Foundation Career Grant
  • Wang, 2009, ORAU/ORNL High Performance Computing Grant Program
  • Parrill, 2009, NIH ARRA Supplements
  • Parrill, 2009, The University of Memphis, Faculty Research Grant
  • Burkey and Webster, 2009, National Science Foundation Grant
  • Parrill and Webster, 2009, National Science Foundation REU Grant
  • Webster, 2008, Conoco Phillips Contract
  • Parrill, 2008, Elsa Pardee Foundation Grant
  • Wang, 2007, National Science Foundation Grant
  • Webster, 2007, Advanced Technology Materials, Inc. Contract
  • Webster, 2007, The University of Memphis, Faculty Research Grant
  • Fells and Parrill, 2007, American Heart Association Predoctoral Fellowship
  • Parrill, 2007, National Science Foundation MRI Grant
  • Parrill, 2007, National Institutes of Health Diversity Supplement
  • Parrill, 2007, The University of Memphis, Atkins Professorship
  • Wang, 2007, American Chemical Society Petroleum Research Fund Grant
  • Wang, 2006, The University of Memphis, Donovan Travel Award
  • Parrill, 2006-2011, National Institutes of Health Grant
  • Parrill (co-investigator), 2006, National Science Foundation MRI grant
  • Parrill, 2006-2008, University of Tennessee Health Science Center Subcontract (National Institutes of Health Grant)
  • Wang, 2006, National Institutes of Health Grant
  • Wang, 2005, The University of Memphis, Faculty Research Grant
  • Marino, 2004, U.S. Department of Energy Grant
  • Ermler, 2003, U.S. Department of Energy Grant
  • Marino, 2003, U.S. Department of Energy Grant
  • Ermler, 2003, National Science Foundation Intergovernmental Personnel Assignment
  • Ermler, 2002, U.S. Department of Energy Grant
  • Kurtz, 2002, Air Force Research Laboratory Grant
  • Ermler, 2002, National Science Foundation Intergovernmental Personnel Assignment
  • Cundari, 2002, U.S. Department of Energy Grant
  • Cundari, 2002, National Science Foundation Grant
  • Parrill, 2001, The University of Memphis, Sigma Xi Chapter Research Paper Award
  • Cundari, 2001, National Science Foundation Grant
  • Ermler, 2001, National Science Foundation Intergovernmental Personnel Assignment
  • Cundari, 2000, National Science Foundation Grants
  • Cundari, 2000, U.S. Department of Energy Grant
  • Parrill, 2000-2005, University of Tennessee Health Science Center Subcontract (National Institutes of Health Grant)
  • Parrill, 2000-2003, American Heart Association Grant
  • Parrill, 2000, The University of Memphis, College of Arts and Sciences Early Career Research Award
  • Parrill, 1999-2002, National Institutes of Health Grant

Recent Publications

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To be updated soon!

Department of Chemistry, The University of Memphis | 213 Smith Chemistry Bldg, Memphis, Tennessee 38152-3550
phone 901.678.2621 | fax 901.678.3447