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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Parents
Sign in to add mentor| Teresa Head-Gordon | grad student | 2012-2018 | UC Berkeley |
| Todd Gingrich | post-doc | 2018- | Northwestern |
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Publications
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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 |