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Albaugh, Alex
42
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Online (42)
Mediatypes
Articles (Online) (20)
Bookchapter (Online) (1)
OpenAccess-fulltext (21)
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1
Limits on the Precision of Catenane Molecular Motors: Insig..:
Albaugh, Alex
;
Fu, Rueih-Sheng
;
Gu, Geyao
.
Journal of Chemical Theory and Computation. , 2023
Link:
https://doi.org/10.1021/..
?
2
Author Correction: Simulating a chemically fueled molecular..:
Albaugh, Alex
;
Gingrich, Todd R.
Nature Communications. 14 (2023) 1 - p. , 2023
Link:
https://doi.org/10.1038/..
?
3
Sterically driven current reversal in a molecular motor mod..:
Albaugh, Alex
;
Gu, Geyao
;
Gingrich, Todd R.
Proceedings of the National Academy of Sciences. 120 (2023) 33 - p. , 2023
Link:
https://doi.org/10.1073/..
?
4
Simulating a chemically fueled molecular motor with nonequi..:
Albaugh, Alex
;
Gingrich, Todd R.
Nature Communications. 13 (2022) 1 - p. , 2022
Link:
https://doi.org/10.1038/..
?
5
Estimating reciprocal partition functions to enable design ..:
Albaugh, Alex
;
Gingrich, Todd R.
The Journal of Chemical Physics. 153 (2020) 20 - p. , 2020
Link:
https://doi.org/10.1063/..
?
6
Combining Iteration-Free Polarization with Large Time Step ..:
Albaugh, Alex
;
Tuckerman, Mark E.
;
Head-Gordon, Teresa
Journal of Chemical Theory and Computation. 15 (2019) 4 - p. 2195-2205 , 2019
Link:
https://doi.org/10.1021/..
?
7
Higher-Order Extended Lagrangian Born–Oppenheimer Molecular..:
Albaugh, Alex
;
Head-Gordon, Teresa
;
Niklasson, Anders M. N.
Journal of Chemical Theory and Computation. 14 (2018) 2 - p. 499-511 , 2018
Link:
https://doi.org/10.1021/..
?
8
Accurate Classical Polarization Solution with No Self-Consi..:
Albaugh, Alex
;
Niklasson, Anders M. N.
;
Head-Gordon, Teresa
The Journal of Physical Chemistry Letters. 8 (2017) 8 - p. 1714-1723 , 2017
Link:
https://doi.org/10.1021/..
?
9
Performance of extended Lagrangian schemes for molecular dy..:
Vitale, Valerio
;
Dziedzic, Jacek
;
Albaugh, Alex
...
The Journal of Chemical Physics. 146 (2017) 12 - p. , 2017
Link:
https://doi.org/10.1063/..
?
10
A New Method for Treating Drude Polarization in Classical M..:
Albaugh, Alex
;
Head-Gordon, Teresa
Journal of Chemical Theory and Computation. 13 (2017) 11 - p. 5207-5216 , 2017
Link:
https://doi.org/10.1021/..
?
11
Advanced Potential Energy Surfaces for Molecular Simulation:
Albaugh, Alex
;
Boateng, Henry A.
;
Bradshaw, Richard T.
...
The Journal of Physical Chemistry B. 120 (2016) 37 - p. 9811-9832 , 2016
Link:
https://doi.org/10.1021/..
?
12
An efficient and stable hybrid extended Lagrangian/self-con..:
Albaugh, Alex
;
Demerdash, Omar
;
Head-Gordon, Teresa
The Journal of Chemical Physics. 143 (2015) 17 - p. , 2015
Link:
https://doi.org/10.1063/..
?
13
Effects of excluded volume and hydrodynamic interactions on..:
Dalal, Indranil Saha
;
Hsieh, Chih‐Chen
;
Albaugh, Alex
.
AIChE Journal. 60 (2014) 4 - p. 1400-1412 , 2014
Link:
https://doi.org/10.1002/..
?
14
Correction for Tumbling and Deformation of Isolated Polymer..:
Saha Dalal, Indranil
;
Albaugh, Alex
;
Hoda, Nazish
.
Macromolecules. 46 (2013) 7 - p. 2876-2876 , 2013
Link:
https://doi.org/10.1021/..
?
15
Tumbling and Deformation of Isolated Polymer Chains in Shea..:
Saha Dalal, Indranil
;
Albaugh, Alex
;
Hoda, Nazish
.
Macromolecules. 45 (2012) 23 - p. 9493-9499 , 2012
Link:
https://doi.org/10.1021/..
1-15