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Thomas A Manz
Profile
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ORCID0000-0002-4033-9864
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GenderMale
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Interests
- Charge Density
- chemistry
- density functional theory (DFT)
- electronic structure
- electronic structure calculations
- Electronic Structure theory
- electronic structure theory and applications
- force fields
- magnetic materials
- metal organic frameworks (MOFs)
- mixed gas adsorption
- molecular dynamics (MD)
- molecular modeling
- Molecular Properties
- molecular simulations
- Monte Carlo
- quantum chemistry
- van der Waals forces
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BiographyTom Manz is a Chemical & Materials Engineering faculty at New Mexico State University. His research group develops new computational chemistry methods and physical interaction models. He is the lead developer of the Density-Derived Electrostatic and Chemical method and associated Chargemol software that computes atom-in-material properties (e.g., charges, spin moments, bond orders, polarizabilities, London dispersion coefficients, etc.) by analyzing quantum-mechanically computed electron and spin density distributions of materials. These descriptors can also be used to construct classical force fields for molecular dynamics and Monte Carlo simulations.
Professional appointments:
2018-present associate professor, Chemical & Materials Engineering, New Mexico State University
2012-2018 assistant professor, Chemical & Materials Engineering, New Mexico State University
Education:
1994 B.S. in Chemical Engineering, The University of Toledo, Toledo Ohio
2009 M.S. in Chemical Engineering, Purdue University, West Lafayette Indiana
2009 Ph.D. in Chemical Engineering, Purdue University, West Lafayette Indiana
2008-2012 temporary research scientist (post-doc), Georgia Institute of Technology, Atlanta Georgia
Notable awards:
2016 NSF Career Award, Division of Materials Research, Condensed Matter and Materials Theory program
2016 Early Career Award for Creative and Scholarly Activity, University Research Council, New Mexico State University
2018 Inducted into Paulding High School hall of fame