E-LIB Suche - Ergebnisse für: Albaugh, Alex

1

Author Correction: Simulating a chemically fueled molecular..:

Albaugh, Alex ; Gingrich, Todd R.
Nature Communications. 14 (2023) 1 - p. , 2023

2

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/..

3

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/..

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

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/..

9

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/..

10

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/..

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/..