Contact Information

Angela K. Wilson
Department of Chemistry
University of North Texas
1155 Union Circle #305070
Denton, Texas 76203-5017

Office:Chemistry 205C
Lab:Chemistry 262
Phone:(940) 565-4296
Fax:(940) 565-4318


Angela K. Wilson

Regents Professor of Chemistry
Director, Center for Advanced Scientific Computing and Modeling (CASCaM)

Associated Faculty, Department of Computer Science and Engineering
Associated Faculty, Department of Physics
Associate Vice Provost for Faculty

Ph.D., University of Minnesota
AWU/DOE Postdoctoral Fellow, Pacific Northwest National Laboratory

Selected Awards and Honors
  • Francis P. Garvan-John M. Olin Medal (2015)
  • Wilfred T. Doherty Award, Dallas-Ft. Worth Society of the American Chemical Society (ACS) (2014)
  • Decker Scholar (2013-2015)
  • Fellow, American Physical Society (2013)
  • IUPAC Distinguished Woman in Chemistry or Chemical Engineering (2013)
  • Foundation Leadership Award (2013)
  • UNT Inaugural Distinguished University Research Lecturer (2012)
  • Fellow of the American Association for the Advancement of Science (2012)
  • UNT Research Leadership Award (2011)
  • Fellow of the American Chemical Society (2010)
  • QSCP Promising Scientist Award of CMOA (2010)
  • UNT Research Scholar Award (2009)
  • UNT Toulouse Scholar Award (2009)
  • Appointed as U.S. Delegate to the IUPAC General Assembly by the National Academies (2009/2011/2013)
  • Chair of the U.S. Delegation to the IUPAC General Assembly (2013)
  • National Associate of the National Academies (2008)
  • US Chair of the 2006 Chinese/American Frontiers of Science (US National Academy of Science)
  • IUPAC Young Observer (2003, 2005)
  • Wiley International Journal of Quantum Chemistry Young Investigator Award (2004)
  • National Science Foundation CAREER Award (2003)
  • Science Advisory Board Program Consultant, EPA (2003-2004)
  • Visiting Research Scientist, Oak Ridge National Laboratory (2003-2004)
  • American Chemical Society Leadership Development Award (2003)
  • Visiting Research Scholar, University of Sydney (2003)
Recent Leadership
  • Editor, Computational and Theoretical Chemistry (2014- )
  • Editorial Board, International Journal of Quantum Chemistry (2011-2015)
  • Editorial Board, Computational and Theoretical Chemistry - formerly, Journal of Molecular Structure THEOCHEM (2011-2013)
  • Executive Member, ACS Division of Physical Chemistry (2010-2016)
  • Editorial Advisory Board, Journal of Physical Chemistry (2010-2012)
  • American Physical Society, Division of Computational Physics Member-at-Large (2008-2011)
  • American Chemical Society, National Councilor (2004-2016)
  • US National Committee for IUPAC, National Academies (2007-2017):
    • Chair (2014-2017)
    • Vice Chair (2012-2014)
  • Pacific Northwest National Laboratory, EMSL User Advisory Board:
    • Chair (2013-2014)
    • Board Member (2007-2014)
  • IUPAC Division of Physical and Biophysical Chemistry, International Division Leadership Committee:
    • Vice President (2014-2015)
    • Secretary (2012-2013)
    • Titular Member (2009-2017)
    • Associate Member (2006-2009)
  • IUPAC Subcommittee for Materials Chemistry (2009-2015)
  • Center for Advanced Scientific Computing and Modeling (CASCaM), Co-director (2005-Present)
  • American Chemical Society Council Policy Committee (2014-2017)
  • American Chemical Society Committee on Nominations and Elections (2009-2013)
  • American Chemical Society Committee on Science:
    • Member (2007-2009)
    • Associate Member (2005-2006)
  • American Chemical Society National Alternate Councilor (2003-2004)
  • Leadership Texas (2003)
Recent Publications

“Low Valency in the Lanthanides: a Theoretical Study of LnF (Ln=Nd, Lu)”, George Schoendorff and Angela K. Wilson, J. Chem. Phys., accepted (5/27/14).

“MR-ccCA:  A Route for Accurate Ground and Excited State Potential Energy Curves and Spectroscopic Properties for Third-Row Molecules”, Christopher South and Angela K. Wilson, Comp. Theor. Chem., DOI: 10.1016/j.comptc.2014.04.013. (invited)

"High Potential Perfluorinated Phthalocyanine-Fullerene Dyads: Formation and Photoinduced Electron Transfer Studies”, Sushanta K. Das, Andrew Mahler, Angela K. Wilson, and Francis D’Souza, ChemPhysChem, DOI: 10.1002/cphc.201402118.

“Molecular Dynamics Studies of the Protein-​Protein Interactions in Inhibitor of κB kinase-​β”,  Michael Jones, Cong Liu, and Angela K. Wilson, J. Chem. Info. Mod., 54, 562 (2014).

“Electron Transfer Studies of High Potential Zinc Porphyrin-fullerene Supramolecular Dyads”, Sushana K. Das, Baiyun Song, Andrew Mahler, Vladimir Nesterov, Angela K. Wilson, Osama Ito, and Francis D’Souza, J. Phys. Chem. C, 118, 3994 (2014).

“Solv-ccCA: Implicit Solvation and the correlation consistent Composite Approach for the Determination of pKa”, Amanda G. Riojas and Angela K. Wilson, J. Chem. Theor. Comput., 10, 1500 (2014).

“Explicitly Correlated Methods within the ccCA Methodology”, Andrew Mahler and Angela K. Wilson, J. Chem. Theor. Chem., 9, 1402 (2013).

“Spectroscopic Properties of Arx-Zn and Arx-Ag+ (x=1,2) van der Waals complexes”, Gbenga A. Oyedepo, Charles Peterson, and Angela K. Wilson, J. Chem. Phys., 138, 104116 (2013).

“Bonding Properties of Selenium-Carbon Complexes: Computational Modeling of H3CSEH, H2CSe, HOCSeH, H2CSeO, SeC, and HCSeOH”, John J. Determan and Angela K. Wilson, Comp. Theor. Chem., 1017, 41 (2013).

“C-O Bond Cleavage of Dimethyl Ether by Transition Metal Ions: A Systematic Study on Catalytic Properties of Metals and Performance of DFT Functionals”, Cong Liu, Charles Peterson, and Angela K. Wilson, J. Phys. Chem. A, 117, 5140 (2013).