Dr. Brian William Doherty

My research involves performing ab initio molecular dynamics studies to determine the structure and dynamics of deep eutectic solvents, applying bicanonical/multicanonical techniques to study charge transfer between deep eutectic solvents at metal surfaces, and parameterize empirical force fields through fitting techniques and/or machine learning.

Previous research experience includes graduate work in force field development for classical molecular dynamic and QM/MM simulations to study ionic liquid and deep eutectic solvent effects in organic reactions (Acevedo Group, University of Miami), as well as undergraduate work using multi-reference quantum mechanical methods to study the electronic structure of diradical species (Parish Group, University of Richmond).