Aaron M. Virshup

Stochastic Voyages into Uncharted Chemical Space Produce a Representative Library of All Possible Drug-Like Compounds

Aaron M. Virshup, Julia Contreras‐García, Peter Wipf et al. · Journal of the American Chemical Society · 2013 · 313 citations · Full text

Combinatorial Chemistry, Molecular Biology, Organic Chemistry +21

First Principles Dynamics and Minimum Energy Pathways for Mechanochemical Ring Opening of Cyclobutene

Mitchell T. Ong, Jeffery A. Leiding, Hongli Tao et al. · Journal of the American Chemical Society · 2009 · 293 citations

Chemical Thermodynamics, Engineering, Heterocyclic +13

Photodynamics in Complex Environments:<i>Ab Initio</i>Multiple Spawning Quantum Mechanical/Molecular Mechanical Dynamics

Aaron M. Virshup, Chutintorn Punwong, Taras V. Pogorelov et al. · The Journal of Physical Chemistry B · 2008 · 271 citations

Implementation of ab initio multiple spawning in the Molpro quantum chemistry package

Benjamin G. Levine, Joshua D. Coe, Aaron M. Virshup et al. · Chemical Physics · 2008 · 215 citations

Quantum Science, Engineering, Quantum Computing +8

Dexter energy transfer pathways

Spiros S. Skourtis, Chaoren Liu, Panayiotis Antoniou et al. · Proceedings of the National Academy of Sciences · 2016 · 167 citations · Full text