Andrew E. Sifain
Publications by Year
Research Areas
Machine Learning in Materials Science, Spectroscopy and Quantum Chemical Studies, Computational Drug Discovery Methods, Advanced Chemical Physics Studies, Various Chemistry Research Topics
Most-Cited Works
- → Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials(2020)422 cited
- → Discovering a Transferable Charge Assignment Model Using Machine Learning(2018)141 cited
- → Transferable Dynamic Molecular Charge Assignment Using Deep Neural Networks(2018)133 cited
- → NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations(2020)88 cited
- → Fewest Switches Surface Hopping in Liouville Space(2015)69 cited
- → Optical Effects of Divalent Functionalization of Carbon Nanotubes(2019)56 cited
- → Photoexcited Nonadiabatic Dynamics of Solvated Push–Pull π-Conjugated Oligomers with the NEXMD Software(2018)47 cited
- → Communication: Proper treatment of classically forbidden electronic transitions significantly improves detailed balance in surface hopping(2016)38 cited
- → Mixed quantum-classical equilibrium in global flux surface hopping(2015)36 cited
- → Communication: Global flux surface hopping in Liouville space(2015)35 cited