Alex Albaugh
Cited by
Cited by
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
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), 174104, 2015
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
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
Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
V Vitale, J Dziedzic, A Albaugh, AMN Niklasson, T Head-Gordon, ...
The Journal of chemical physics 146 (12), 124115, 2017
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
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
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
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
Estimating reciprocal partition functions to enable design space sampling
A Albaugh, TR Gingrich
The Journal of Chemical Physics 153 (20), 204102, 2020
Simulating a Chemically-Fueled Molecular Motor with Nonequilibrium Molecular Dynamics
A Albaugh, TR Gingrich
arXiv preprint arXiv:2102.06298, 2021
Improved Methods for Polarizable Classical Molecular Dynamics Simulations
AT Albaugh
University of California, Berkeley, 2018
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