title: Free-energy coarse-grained potential for C60.
abstract: We propose a new deformable free energy method for generating a free-energy coarse-graining potential for C60. Potentials generated from this approach exhibit a strong temperature dependence and produce excellent agreement with benchmark fully atomistic molecular dynamics simulations. Parameter sets for analytical fits to this potential are provided at four different temperatures.
authors.affiliation: Department of Physics, Imperial College London, London SW7 2AZ, United Kingdom.
authors.forename: D M
authors.initials: DM
authors.lastname: Edmunds
authors.affiliation: Department of Physics, Imperial College London, London SW7 2AZ, United Kingdom.
authors.forename: P
authors.initials: P
authors.lastname: Tangney
authors.affiliation: Department of Physics, Imperial College London, London SW7 2AZ, United Kingdom.
authors.forename: D D
authors.initials: DD
authors.lastname: Vvedensky
authors.affiliation: Department of Physics, Imperial College London, London SW7 2AZ, United Kingdom.
authors.forename: W M C
authors.initials: WM
authors.lastname: Foulkes