Imperial College London

Matthew Foulkes

Faculty of Natural SciencesDepartment of Physics

Professor of Physics
 
 
 
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Contact

 

+44 (0)20 7594 7607wmc.foulkes Website

 
 
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Assistant

 

Mrs Carolyn Dale +44 (0)20 7594 7579

 
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Location

 

810Blackett LaboratorySouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Edmunds:2015:10.1063/1.4932591,
author = {Edmunds, DM and Tangney, P and Vvedensky, DD and Foulkes, WMC},
doi = {10.1063/1.4932591},
journal = {Journal of Chemical Physics},
pages = {164509--164509},
title = {Free-energy coarse-grained potential for C},
url = {http://dx.doi.org/10.1063/1.4932591},
volume = {143},
year = {2015}
}

RIS format (EndNote, RefMan)

TY  - JOUR
AB - We propose a new deformable free energy method for generating a free-energy coarse-graining potentialfor C. Potentials generated from this approach exhibit a strong temperature dependence and produceexcellent agreement with benchmark fully atomistic molecular dynamics simulations. Parametersets for analytical fits to this potential are provided at four different temperatures.
AU - Edmunds,DM
AU - Tangney,P
AU - Vvedensky,DD
AU - Foulkes,WMC
DO - 10.1063/1.4932591
EP - 164509
PY - 2015///
SN - 1089-7690
SP - 164509
TI - Free-energy coarse-grained potential for C
T2 - Journal of Chemical Physics
UR - http://dx.doi.org/10.1063/1.4932591
UR - http://scitation.aip.org/content/aip/journal/jcp/143/16/10.1063/1.4932591
UR - http://hdl.handle.net/10044/1/27099
VL - 143
ER -