John Harkless

John A.W. Harkless is an Associate Professor of Chemistry at Howard University specializing in quantum Monte Carlo methods and computational chemistry. An award-winning educator, he balances high-accuracy computational research with STEM advocacy.

Education:

• Ph.D. Theoretical Chemistry, University of California, Berkeley (2001)
• B.S. Mathematics and Chemistry, Morehouse College (1995)

Research develops quantum Monte Carlo techniques for electronic structure prediction in transition metal systems and reactive intermediates. Current projects investigate sulfur-containing compounds and nanomaterials.

Publications focus on computational approaches to molecular energetics, with recent work examining enaminone derivatives and beryllium dimer dissociation.

Awards:

• Henry C. McBay Outstanding Teacher Award
• NIST/NRC Postdoctoral Fellowship

Advises graduate students in computational chemistry and leads NSF-sponsored collaborations. Pioneers science communication through educational YouTube content covering general and physical chemistry concepts.