Dr. Michael W. Schmidt

Ames Laboratory Associate
Address
201 Spedding Hall
The Ames Laboratory
Ames, IA 50011-3020
Phone 515-294-9796
Email mike@si.msg.chem.iastate.edu

Research Interests

  • MCSCF wavefunctions
  • inorganic chemistry of main group elements
  • unusual chemical bonding patterns
  • implementation of quantum chemistry algorithms
  • high performance parallel computation

        Project Affiliations:
        Chemical Physics

        Group Website:
        Mike Schmidt's Page
        
        

(Chronologically most recent on top)Education

  • 1972-1975 B.A. in chemistry, St. Mary of the Plains College, Dodge City, KS
  • 1975-1982 Ph.D. in physical chemistry, Iowa State University

(Chronologically most recent on top)Professional Appointments

  • 1982-1984 Postdoctoral Fellow of Prof. Mark Gordon, North Dakota State University
  • 1984-1992 Research Associate, North Dakota State University
  • 1992-present Associate Scientist, Ames Laboratory-USDOE and Iowa State University
  • 2000-2001 Visiting Professor, Tokyo Metropolitan University
  • 2003, 2004, 2006, 2008 month long visits to Institute for Molecular Science, Okazaki
  • 2007 Visiting Professor, Ochanomizu University, Tokyo

(Chronologically most recent on top)Honors & Awards

  • 2009 LAS Professional and Scientific Excellence Award, Iowa State University
  • 2010 LAS Professional and Scientific Research Award, Iowa State University

(Chronologically most recent on top)Publications with the Ames Laboratory

2013
West A C; Schmidt M W; Gordon M S; Ruedenberg K . 2013. A comprehensive analysis of molecule-intrinsic quasi-atomic, bonding, and correlating orbitals. I. Hartree-Fock wave functions. Journal of Chemical Physics. 139:234107. abstract
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Schmidt M W; Gordon M S . 2013. The Decomposition of Hydrazine in the Gas Phase and over an Iridium Catalyst. Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics. 227:1301-1336. abstract
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2012
Ivanic J; Schmidt M W; Luke B . 2012. High-level theoretical study of the NO dimer and tetramer: Has the tetramer been observed?. Journal of Chemical Physics. 137:214316. abstract
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Zeng T; Fedorov D G; Schmidt M W; Klobukowski M . 2012. Natural Spinors Reveal How the Spin-Orbit Coupling Affects the Jahn-Teller Distortions in the Hexafluorotungstate(V) Anion. Journal of Chemical Theory and Computation. 8:3061-3071. abstract
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Talamudupula S K; Sosonkina M; Gaenko A; Schmidt M W; Ali H; Shi Y; Khazanchi D; Lees M; VanAlbada G D; Dongarra J; Sloot P M A . 2012. Fragment Molecular Orbital Method Adaptations for Heterogeneous Computing Platforms. Proceedings of the International Conference on Computational Science, ICCS 2012. 9:489-497. abstract
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2011
Zeng T; Fedorov D G; Schmidt M W; Klobukowski M . 2011. Effects of Spin-Orbit Coupling on Covalent Bonding and the Jahn-Teller Effect Are Revealed with the Natural Language of Spinors. Journal of Chemical Theory and Computation. 7:2864-2875. abstract
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Miller G J; Schmidt M W; Wang F; You T S; Fassler T F . 2011. Quantitative Advances in the Zintl-Klemm Formalism. Zintl Phases: Principles and Recent Developments. 139:1-55. abstract
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Zeng T; Fedorov D G; Schmidt M W; Klobukowski M . 2011. Two-component natural spinors from two-step spin-orbit coupled wave functions. Journal of Chemical Physics. 134:214107. abstract
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DeFusco A; Ivanic J; Schmidt M W; Gordon M S . 2011. Solvent-Induced Shifts in Electronic Spectra of Uracil. Journal of Physical Chemistry A. 115:4574-4582. abstract
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Sundriyal V; Sosonkina M; Fang Liu; Schmidt M W . 2011. Dynamic Frequency Scaling and Energy Saving in Quantum Chemistry Applications. 25th IEEE International Symposium on Parallel and Distributed Processing, IPDPS 2011. :837-845. abstract
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