John Harkless
- MIT Sponsors:
- Troy Van Voorhis, Department of Chemistry
- Department of Chemical Engineering
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Background
John Harkless is an associate professor of chemistry at Howard University. Harkless earned an SB in chemistry and mathematics from Morehouse College in 1995 and a PhD in theoretical chemistry from the University of California, Berkeley.
Interests
Harkless’ research focuses on applying and developing quantum Monte Carlo (AMC) methods for use in computational studies of the electronic structure of difficult systems. While at MIT, Harkless continued research in molecular quantum mechanics. He also worked with colleagues in the Department of Chemical Engineering in the recruitment and mentoring of underrepresented minorities, while establishing a local chapter of the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers (NOBCCHE).
Sample Work
Publication
Enaminones 10. Molecular modeling aspects of the 5-methylcyclohexenone derivatives
Enaminones 10. Molecular modeling aspects of the 5-methylcyclohexenone derivatives. Gibson A, Harkless J, Alexander M, Scott KR. Bioorg Med Chem. 2009 Jul 15;17(14):5342-6. doi: 10.1016/j.bmc.2009.03.068. Epub 2009 Apr 11.
Publication
Introduction to the William A. Lester, Jr., Festschrift
Introduction to the William A. Lester, Jr., Festschrift. Aspuru-Guzik A, Harkless JA. J Phys Chem A. 2008 Mar 13;112(10):1965-80. doi: 10.1021/jp801183j.
Publication
Bond dissocation and conformational energetics of tetrasulfur: a quantum Monte Carlo study
Bond dissocation and conformational energetics of tetrasulfur: a quantum Monte Carlo study. Harkless JA, Francisco JS. J Phys Chem A. 2008 Mar 13;112(10):2088-92. doi: 10.1021/jp076376h. Epub 2008 Jan 25.
Publication
Coupled-cluster study of the electronic structure and energetics of tetrasulfur, S4
Coupled-cluster study of the electronic structure and energetics of tetrasulfur, S4. Matus MH, Dixon DA, Peterson KA, Harkless JA, Francisco JS. J Chem Phys. 2007 Nov 7;127(17):174305.