| 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 | 85 | 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), 2015 | 63 | 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 | 43 | 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 | 42 | 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, A Niklasson, T Head-Gordon, CK Skylaris The Journal of chemical physics 146 (12), 2017 | 32 | 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 | 26 | 2017 |
| 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 | 18 | 2014 |
| Simulating a chemically fueled molecular motor with nonequilibrium molecular dynamics A Albaugh, TR Gingrich Nature communications 13 (1), 2204, 2022 | 16 | 2022 |
| 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 | 16 | 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 | 13 | 2019 |
| Estimating reciprocal partition functions to enable design space sampling A Albaugh, TR Gingrich The Journal of Chemical Physics 153 (20), 2020 | 7 | 2020 |
| 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 | 2 | 2023 |
| 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 | 1 | |
| Power strokes in molecular motors: Predictive, irrelevant, or somewhere in between? E Penocchio, G Gu, A Albaugh, TR Gingrich | | 2024 |
| Improved Methods for Polarizable Classical Molecular Dynamics Simulations AT Albaugh University of California, Berkeley, 2018 | | 2018 |
Teresa Head-GordonUC BerkeleyGeverifieerd e-mailadres voor berkeley.edu
