201 citations · 1k across the 14 of their papers we have counts for
14 papers
Free energy differences and coexistence of clathrate structures II and H via lattice-switch Monte Carlo
Olivia S. Moro, Nigel B. Wilding, Vincent Ballenegger
We introduce a simulation technique to compute the free energy difference between two hydrate structures of different stoichiometry connected to a reservoir of gas molecules at a p…
Computer simulation of fluid phase transitions
N. B. Wilding
The task of accurately locating fluid phase boundaries by means of computer simulation is hampered by problems associated with sampling both coexisting phases in a single simulatio…
Freezing by Monte Carlo Phase-Switch
N. B. Wilding, A. D. Bruce
We describe a Monte Carlo procedure which allows sampling of the disjoint configuration spaces associated with crystalline and fluid phases, within a single simulation. The method…
Lattice-switch Monte Carlo
A. D. Bruce, A. N. Jackson, G. J. Ackland +1
We present a Monte Carlo method for the direct evaluation of the difference between the free energies of two crystal structures. The method is built on a lattice-switch transformat…
Critical-point finite-size scaling in the microcanonical ensemble
A. D. Bruce, N. B. Wilding
We develop a scaling theory for the finite-size critical behavior of the microcanonical entropy (density of states) of a system with a critically-divergent heat capacity. The link…
Absence of simulation evidence for critical depletion in slit-pores
Nigel B. Wilding, Martin Schoen
Recent Monte Carlo simulation studies of a Lennard-Jones fluid confined to a mesoscopic slit-pore have reported evidence for ``critical depletion'' in the pore local number density…
Recoil growth: an efficient simulation method for multi-polymer systems
S. Consta, N. B. Wilding, D. Frenkel +1
We present a new Monte Carlo scheme for the efficient simulation of multi-polymer systems. The method permits chains to be inserted into the system using a biased growth technique.…
Free energies of crystalline solids: a lattice-switch Monte Carlo method
A. D. Bruce, N. B. Wilding, G. J. Ackland
We present a method for the direct evaluation of the difference between the free energies of two crystalline structures, of different symmetry. The method rests on a Monte Carlo pr…
Finite-size scaling for near-critical continuum fluids at constant pressure
N. B. Wilding, K. Binder
We consider the application of finite-size scaling methods to isothermal-isobaric (constant-NpT) simulations of pure continuum fluids. A finite-size scaling ansatz is made for the…
Chain length dependence of the polymer-solvent critical point parameters
N. B. Wilding, M. Mueller, K. Binder
We report grand canonical Monte Carlo simulations of the critical point properties of homopolymers within the Bond Fluctuation model. By employing Configurational Bias Monte Carlo…
Errors in Monte Carlo simulations using shift register random number generators
F. Schmid, N. B. Wilding
We report large systematic errors in Monte Carlo simulations of the tricritical Blume-Capel model using single spin Metropolis updating. The error, manifest as a asymmetry i…
Tricritical universality in a two-dimensional spin fluid
N. B. Wilding, P. Nielaba
Monte Carlo simulations are used to investigate the tricritical point properties of a 2d spin fluid. Measurements of the scaling operator distributions are employed in conjunction…
Are critical finite-size scaling functions calculable from knowledge of an appropriate critical exponent?
R. Hilfer, N. B. Wilding
Critical finite-size scaling functions for the order parameter distribution of the two and three dimensional Ising model are investigated. Within a recently introduced classificati…
Critical Point Field Mixing in an Asymmetric Lattice Gas Model
N. B. Wilding
The field mixing that manifests broken particle-hole symmetry is studied for a 2-D asymmetric lattice gas model having tunable field mixing properties. Monte Carlo simulations with…