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Fogarty, Aoife Catherine
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1

Temperature dependence of coarse-grained potentials for liq..:

Farah, Karim ; Fogarty, Aoife Catherine ; Böhm, Michael Christian.
Phys. Chem. Chem. Phys..  13 (2011)  7 - p. 2894-2902 , 2011
Link: https://doi.org/10.1039/..
 
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2

espressopp/espressopp: v3.0.0:

Torsten Stuehn ; Christoph Junghans ; Nikita Tretyakov...
https://github.com/espressopp/espressopp/tree/v3.0.0.  , 2020
Link: https://zenodo.org/recor..
 
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3

espressopp/espressopp v2.0.2:

Olaf Lenz ; Torsten Stuehn ; Christoph Junghans...
https://github.com/espressopp/espressopp/tree/v2.0.2.  , 2019
Link: https://zenodo.org/recor..
 
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4

espressopp/espressopp: ESPResSo++ 2.0.1:

Olaf Lenz ; Torsten Stuehn ; Nikita Tretyakov...
https://github.com/espressopp/espressopp/tree/v2.0.1.  , 2019
Link: https://zenodo.org/recor..
 
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5

espressopp/espressopp: ESPResSo++ 2.0:

Olaf Lenz ; Torsten Stuehn ; Christoph Junghans...
https://github.com/espressopp/espressopp/tree/v2.0.  , 2018
Link: https://zenodo.org/recor..
 
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6

SARS-CoV-2 simulations go exascale to predict dramatic spik..:

Zimmerman, Maxwell I. ; Porter, Justin R. ; Ward, Michael D....
Nature Chemistry.  13 (2021)  7 - p. 651-659 , 2021
Link: https://doi.org/10.1038/..
 
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7

ESPResSo++ 2.0: Advanced methods for multiscale molecular s..:

Guzman, Horacio V. ; Tretyakov, Nikita ; Kobayashi, Hideki...
Computer Physics Communications.  238 (2019)  - p. 66-76 , 2019
Link: https://doi.org/10.1016/..
 
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8

Erratum: "Adaptive resolution simulation of a biomolecule a..:

Fogarty, Aoife C. ; Potestio, Raffaello ; Kremer, Kurt
The Journal of Chemical Physics.  146 (2017)  4 - p. , 2017
Link: https://doi.org/10.1063/..
 
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9

Coupled Valence-Bond State Molecular Dynamics Description o..:

Duboué-Dijon, Elise ; Pluhařová, Eva ; Domin, Dominik...
The Journal of Physical Chemistry B.  121 (2017)  29 - p. 7027-7041 , 2017
Link: https://doi.org/10.1021/..
 
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10

Using force-based adaptive resolution simulations to calcul..:

Fiorentini, Raffaele ; Kremer, Kurt ; Potestio, Raffaello.
The Journal of Chemical Physics.  146 (2017)  24 - p. , 2017
Link: https://doi.org/10.1063/..
 
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11

Dynamical Disorder in the DNA Hydration Shell:

Duboué-Dijon, Elise ; Fogarty, Aoife C. ; Hynes, James T..
Journal of the American Chemical Society.  138 (2016)  24 - p. 7610-7620 , 2016
Link: https://doi.org/10.1021/..
 
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12

Adaptive Resolution Simulations with Self-Adjusting High-Re..:

Kreis, Karsten ; Potestio, Raffaello ; Kremer, Kurt.
Journal of Chemical Theory and Computation.  12 (2016)  8 - p. 4067-4081 , 2016
Link: https://doi.org/10.1021/..
 
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13

A multi-resolution model to capture both global fluctuation..:

Fogarty, Aoife C. ; Potestio, Raffaello ; Kremer, Kurt
Proteins: Structure, Function, and Bioinformatics.  84 (2016)  12 - p. 1902-1913 , 2016
Link: https://doi.org/10.1002/..
 
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14

Adaptive resolution simulation of a biomolecule and its hyd..:

Fogarty, Aoife C. ; Potestio, Raffaello ; Kremer, Kurt
The Journal of Chemical Physics.  142 (2015)  19 - p. , 2015
Link: https://doi.org/10.1063/..
 
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15

Reorientational Dynamics of Water Confined in Zeolites:

Fogarty, Aoife C. ; Coudert, François‐Xavier ; Boutin, Anne.
ChemPhysChem.  15 (2014)  3 - p. 521-529 , 2014
Link: https://doi.org/10.1002/..
 
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