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Alex Albaugh
Alex Albaugh
Assistant Professor of Chemical Engineering, Wayne State University
Verified email at wayne.edu - Homepage
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Cited by
Cited by
Year
Advanced potential energy surfaces for molecular simulation
A Albaugh, HA Boateng, RT Bradshaw, ON Demerdash, J Dziedzic, ...
The Journal of Physical Chemistry B 120 (37), 9811-9832, 2016
852016
An efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual induction
A Albaugh, O Demerdash, T Head-Gordon
The Journal of Chemical Physics 143 (17), 2015
632015
Accurate classical polarization solution with no self-consistent field iterations
A Albaugh, AMN Niklasson, T Head-Gordon
The journal of physical chemistry letters 8 (8), 1714-1723, 2017
432017
Tumbling and deformation of isolated polymer chains in shearing flow
I Saha Dalal, A Albaugh, N Hoda, RG Larson
Macromolecules 45 (23), 9493-9499, 2012
412012
Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
V Vitale, J Dziedzic, A Albaugh, A Niklasson, T Head-Gordon, CK Skylaris
The Journal of chemical physics 146 (12), 2017
312017
A new method for treating Drude polarization in classical molecular simulation
A Albaugh, T Head-Gordon
Journal of Chemical Theory and Computation 13 (11), 5207-5216, 2017
262017
Effects of excluded volume and hydrodynamic interactions on the behavior of isolated bead‐rod polymer chains in shearing flow
IS Dalal, CC Hsieh, A Albaugh, RG Larson
AIChE Journal 60 (4), 1400-1412, 2014
182014
Higher-order extended Lagrangian Born–Oppenheimer molecular dynamics for classical polarizable models
A Albaugh, T Head-Gordon, AMN Niklasson
Journal of chemical theory and computation 14 (2), 499-511, 2018
162018
Simulating a chemically fueled molecular motor with nonequilibrium molecular dynamics
A Albaugh, TR Gingrich
Nature communications 13 (1), 2204, 2022
152022
Combining iteration-free polarization with large time step stochastic-isokinetic integration
A Albaugh, ME Tuckerman, T Head-Gordon
Journal of chemical theory and computation 15 (4), 2195-2205, 2019
132019
Estimating reciprocal partition functions to enable design space sampling
A Albaugh, TR Gingrich
The Journal of Chemical Physics 153 (20), 2020
62020
Sterically driven current reversal in a molecular motor model
A Albaugh, G Gu, TR Gingrich
Proceedings of the National Academy of Sciences 120 (33), e2210500120, 2023
12023
Improved Methods for Polarizable Classical Molecular Dynamics Simulations
AT Albaugh
University of California, Berkeley, 2018
2018
Limits on the Precision of Catenane Molecular Motors: Insights from Thermodynamics and Molecular Dynamics Simulations
A Albaugh, RS Fu, G Gu, TR Gingrich
Journal of chemical theory and computation, 0
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Articles 1–14