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Alex Albaugh - Publications

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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15 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Albaugh A, Fu RS, Gu G, Gingrich TR. Limits on the Precision of Catenane Molecular Motors: Insights from Thermodynamics and Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 20: 1-6. PMID 38127444 DOI: 10.1021/acs.jctc.3c01201  0.723
2023 Albaugh A, Gu G, Gingrich TR. Sterically driven current reversal in a molecular motor model. Proceedings of the National Academy of Sciences of the United States of America. 120: e2210500120. PMID 37549273 DOI: 10.1073/pnas.2210500120  0.729
2023 Albaugh A, Gingrich TR. Author Correction: Simulating a chemically fueled molecular motor with nonequilibrium molecular dynamics. Nature Communications. 14: 389. PMID 36693844 DOI: 10.1038/s41467-023-35980-9  0.734
2022 Albaugh A, Gingrich TR. Simulating a chemically fueled molecular motor with nonequilibrium molecular dynamics. Nature Communications. 13: 2204. PMID 35459863 DOI: 10.1038/s41467-022-29393-3  0.754
2020 Albaugh A, Gingrich TR. Estimating reciprocal partition functions to enable design space sampling. The Journal of Chemical Physics. 153: 204102. PMID 33261473 DOI: 10.1063/5.0025358  0.679
2019 Albaugh A, Tuckerman ME, Head-Gordon T. Combining Iteration-Free Polarization with Large Time Step Stochastic-Isokinetic Integration. Journal of Chemical Theory and Computation. PMID 30830768 DOI: 10.1021/Acs.Jctc.9B00072  0.654
2018 Albaugh A, Head-Gordon T, Niklasson AMN. Higher-order Extended Lagrangian Born-Oppenheimer Molecular Dynamics for Classical Polarizable Models. Journal of Chemical Theory and Computation. PMID 29316388 DOI: 10.1021/Acs.Jctc.7B01041  0.66
2017 Albaugh A, Head-Gordon T. A New Method for Treating Drude Polarization in Classical Molecular Simulation. Journal of Chemical Theory and Computation. PMID 28965397 DOI: 10.1021/Acs.Jctc.7B00838  0.659
2017 Vitale V, Dziedzic J, Albaugh A, Niklasson AM, Head-Gordon T, Skylaris CK. 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. PMID 28388116 DOI: 10.1063/1.4978684  0.678
2017 Albaugh A, Niklasson AM, Head-Gordon T. Accurate Classical Polarization Solution with No Self-Consistent Field Iterations. The Journal of Physical Chemistry Letters. PMID 28350167 DOI: 10.1021/Acs.Jpclett.7B00450  0.613
2016 Albaugh A, Boateng HA, Bradshaw RT, Demerdash ON, Dziedzic J, Mao Y, Margul DT, Swails JM, Zeng Q, Case DA, Eastman PK, Essex JW, Head-Gordon M, Pande VS, Ponder JW, et al. Advanced Potential Energy Surfaces for Molecular Simulation. The Journal of Physical Chemistry. B. PMID 27513316 DOI: 10.1021/Acs.Jpcb.6B06414  0.722
2015 Albaugh A, Demerdash O, Head-Gordon T. An efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual induction. The Journal of Chemical Physics. 143: 174104. PMID 26547155 DOI: 10.1063/1.4933375  0.727
2014 Dalal IS, Hsieh CC, Albaugh A, Larson RG. Effects of excluded volume and hydrodynamic interactions on the behavior of isolated bead-rod polymer chains in shearing flow Aiche Journal. 60: 1400-1412. DOI: 10.1002/Aic.14317  0.367
2013 Saha Dalal I, Albaugh A, Hoda N, Larson RG. Correction for Tumbling and Deformation of Isolated Polymer Chains in Shearing Flow Macromolecules. 46: 2876-2876. DOI: 10.1021/Ma302621A  0.308
2012 Saha Dalal I, Albaugh A, Hoda N, Larson RG. Tumbling and deformation of isolated polymer chains in shearing flow Macromolecules. 45: 9493-9499. DOI: 10.1021/Ma3014349  0.378
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