Benjamin Peyton

My research focuses on developing model chemistries for reducing computational cost or solving unique problems in electronic structure theory– these include model reactions, fragmentation schemes, and machine-learning algorithms. My previous work has involved using model reactions and many-body expansions to divide large molecular systems into smaller fragments for calculating strain energetics or solvated response properties. I am currently developing machine-learning algorithms for compact wavefunction design. Stop by my Github to learn more!



Department of Chemistry (0212)
Davidson Hall Room 480
1040 Drillfield Drive
Blacksburg, 24061