C. J. O’Keeffe
University of California, Los Angeles
5 Papers
3 Citations
C. J. O’Keeffe is an academic researcher from University of California, Los Angeles. The author has contributed to research in topics: Monte Carlo method & Markov chain Monte Carlo. The author has an hindex of 4, co-authored 5 publications.
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Papers
Spatial updating grand canonical Monte Carlo algorithms for fluid simulation: generalization to continuous potentials and parallel implementation.
TL;DR: Spatial updating grand canonical Monte Carlo algorithms are generalized to continuous, soft-core potentials to account for overlapping configurations and show a substantial reduction of simulation time for systems of moderate and large size.
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Sequential updating algorithms for grand canonical Monte Carlo simulations
TL;DR: The efficiency of the sequential algorithm for the two-dimensional lattice gas model in the grand canonical ensemble is illustrated and indicates that parallel Monte Carlo simulations, if treated correctly, are not only as precise as serial implementation, but can also save significant computing time.
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Scaling fields and pressure mixing in the Widom-Rowlinson model.
TL;DR: It is demonstrated that the scaling fields are analytic functions of temperature and chemical potential only and there is no pressure mixing in the penetrable sphere model.
7
Simulation of symmetric tricritical behavior in electrolytes.
TL;DR: This work investigates the phase behavior of the restricted primitive model of electrolyte solutions on the simple cubic lattice using grand canonical Monte Carlo simulations and finite-size scaling techniques, finding order-disorder transitions for reduced temperatures and a calculated phase diagram in qualitative agreement with mean-field theories.
Parallel canonical Monte Carlo simulations through sequential updating of particles
C. J. O’Keeffe,G. Orkoulas +1 more
TL;DR: This work proposes a parallelization method for canonical Monte Carlo simulations via domain decomposition techniques and sequential updating of particles and results on two- and three-dimensional Lennard-Jones fluids indicate a nearly perfect improvement in parallel efficiency for large systems.