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Alex Albaugh

Affiliations: 
Chemical Engineering Wayne State University, Detroit, MI, United States 
 2012-2018 Chemical and Biomolecular Engineering University of California, Berkeley, Berkeley, CA, United States 
 2018-2022 Chemistry Northwestern University, Evanston, IL 
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Teresa Head-Gordon grad student 2012-2018 UC Berkeley
Todd Gingrich post-doc 2018-2022 Northwestern

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Publications

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Albaugh A, Fu RS, Gu G, et al. (2023) Limits on the Precision of Catenane Molecular Motors: Insights from Thermodynamics and Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 20: 1-6
Albaugh A, Gu G, Gingrich TR. (2023) Sterically driven current reversal in a molecular motor model. Proceedings of the National Academy of Sciences of the United States of America. 120: e2210500120
Albaugh A, Gingrich TR. (2023) Author Correction: Simulating a chemically fueled molecular motor with nonequilibrium molecular dynamics. Nature Communications. 14: 389
Albaugh A, Gingrich TR. (2022) Simulating a chemically fueled molecular motor with nonequilibrium molecular dynamics. Nature Communications. 13: 2204
Albaugh A, Gingrich TR. (2020) Estimating reciprocal partition functions to enable design space sampling. The Journal of Chemical Physics. 153: 204102
Albaugh A, Tuckerman ME, Head-Gordon T. (2019) Combining Iteration-Free Polarization with Large Time Step Stochastic-Isokinetic Integration. Journal of Chemical Theory and Computation
Albaugh A, Head-Gordon T, Niklasson AMN. (2018) Higher-order Extended Lagrangian Born-Oppenheimer Molecular Dynamics for Classical Polarizable Models. Journal of Chemical Theory and Computation
Albaugh A, Head-Gordon T. (2017) A New Method for Treating Drude Polarization in Classical Molecular Simulation. Journal of Chemical Theory and Computation
Vitale V, Dziedzic J, Albaugh A, et al. (2017) Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory. The Journal of Chemical Physics. 146: 124115
Albaugh A, Niklasson AM, Head-Gordon T. (2017) Accurate Classical Polarization Solution with No Self-Consistent Field Iterations. The Journal of Physical Chemistry Letters
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