Ph.D. · Computational Chemistry · Educator
I'm a computational chemist and educator with experience in molecular modeling, quantum chemistry, and scientific software development. My research has included ionic liquid simulations, computer-aided molecular design, and continuum solvent modeling. I also build tools for science and teaching, and write code for the web.
Interactive web-based visualization of valence bond theory concepts and orbital interactions.
Avogadro 2 plugin computing intrinsic atomic orbitals via Psi4, with interactive Molden visualization and orbital analysis.
Fast, accurate conversion between hartree, eV, kcal/mol, kJ/mol, and more.
Parse chemical formulas and compute exact masses.