Alex Albaugh

Affiliations: 
2012-2018 Chemical and Biomolecular Engineering University of California, Berkeley, Berkeley, CA 
 2018- Chemistry Northwestern University, Evanston, IL 
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"Alex Albaugh"
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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
Albaugh A, Boateng HA, Bradshaw RT, et al. (2016) Advanced Potential Energy Surfaces for Molecular Simulation. The Journal of Physical Chemistry. B
Albaugh A, Demerdash O, Head-Gordon T. (2015) An efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual induction. The Journal of Chemical Physics. 143: 174104
Dalal IS, Hsieh CC, Albaugh A, et al. (2014) Effects of excluded volume and hydrodynamic interactions on the behavior of isolated bead-rod polymer chains in shearing flow Aiche Journal. 60: 1400-1412
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