Joshua S. Kretchmer, Ph.D.

2015 Chemistry California Institute of Technology, Pasadena, CA 
Theory and simulation of chemical, biochemical, and soft matter systems
"Joshua Kretchmer"
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Thomas F. Miller grad student 2015 Caltech
 (Direct simulation of proton-coupled electron transfer reaction dynamics and mechanisms.)
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Reinhard TE, Mordovina U, Hubig C, et al. (2019) Density-matrix embedding theory study of the one-dimensional Hubbard-Holstein model. Journal of Chemical Theory and Computation
Kretchmer JS, Boekelheide N, Warren JJ, et al. (2018) Fluctuating hydrogen-bond networks govern anomalous electron transfer kinetics in a blue copper protein. Proceedings of the National Academy of Sciences of the United States of America
Kretchmer JS, Chan GK. (2018) The Fate of Atomic Spin in Atomic Scattering Off Surfaces. The Journal of Physical Chemistry Letters
Kretchmer JS, Chan GK. (2018) A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics. The Journal of Chemical Physics. 148: 054108
Kretchmer JS, Miller Iii TF. (2016) Kinetically-constrained ring-polymer molecular dynamics for non-adiabatic chemistries involving solvent and donor-acceptor dynamical effects. Faraday Discussions
Kretchmer JS, Miller TF. (2015) Tipping the Balance between Concerted versus Sequential Proton-Coupled Electron Transfer. Inorganic Chemistry
Kretchmer JS, Iii TFM. (2014) Direct Simulation of Proton-Coupled Electron Transfer Reaction Dynamics and Mechanisms Bulletin of the American Physical Society. 2014
Kretchmer JS, Miller TF. (2013) Direct simulation of proton-coupled electron transfer across multiple regimes. The Journal of Chemical Physics. 138: 134109
Warren JJ, Menzeleev AR, Kretchmer JS, et al. (2013) Long Range Proton-Coupled Electron Transfer Reactions of Bis(imidazole) Iron Tetraphenylporphyrins Linked to Benzoates. The Journal of Physical Chemistry Letters. 4: 519-523
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