Results 281 to 290 of about 23,025 (301)
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Nuclear Physics B - Proceedings Supplements, 1988
Abstract I discuss the Hybrid Monte Carlo algorithm for performing lattice gauge theory calculations. This is a large step method which has none of the discrete step size errors usually associated with the Molecular Dynamics, Langevin, or Hybrid algorithms. The method allows the inclusion of dynamical fermion fields in a straightforward way.
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Abstract I discuss the Hybrid Monte Carlo algorithm for performing lattice gauge theory calculations. This is a large step method which has none of the discrete step size errors usually associated with the Molecular Dynamics, Langevin, or Hybrid algorithms. The method allows the inclusion of dynamical fermion fields in a straightforward way.
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Higher-order hybrid Monte Carlo algorithms
Physical Review Letters, 1989We present a simple recursive iteration of the leapfrog discretization of Newton's equations which leads to a removal of the finite-step-size error to any desired order. This is done in a manner that preserves phase-space areas and reversibility, as required for use in the hybrid Monte Carlo method for simulating fermionic fields.
, Creutz, , Gocksch
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Hybrid Monte Carlo with LAMMPS
Journal of Theoretical and Computational Chemistry, 2018We describe a strategy for performing canonical and isothermal-isobaric ensemble hybrid Monte Carlo (HMC) simulations with the widely-used Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) molecular dynamics (MD) software package. The overall workflow for the HMC simulations is handled using an external Python driver script, which ...
Jingxiang Guo +2 more
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Generalized coordinate hybrid Monte Carlo
Molecular Physics, 1994We describe a novel hybrid Monte Carlo algorithm for the off-lattice simulation of dense, atomistically detailed polymer systems. Bond lengths and bond angles are constrained to their equilibrium values and a generalized-coordinate description using the torsional degrees of freedom is employed.
B.M. Forrest, U.W. Suter
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Hybrid (Hamiltonian) Monte Carlo
2020The classic 1953 paper of Metropolis et al. [2] introduced to us the world of Markov Chain Monte Carlo (MCMC). In their work, MCMC was used to simulate the distribution of states for a system of idealized molecules. Not long after this, in 1959, another approach to molecular simulation was introduced by Alder and Wainwright [14], in which they used a ...
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Replica exchange with Smart Monte Carlo and Hybrid Monte Carlo in manifolds
Chemical Physics Letters, 2013Abstract Several Smart Monte Carlo (SMC) and Hybrid Monte Carlo (HMC) simulations coupled with the Replica Exchange (RE) strategy are compared in multidimensional flat and curved manifolds characterized by extremely rugged potential energy surfaces, to quantify their convergence properties with respect to walk length and overall cost.
Jenkins, R., Curotto, E., MELLA, MASSIMO
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Higher order hybrid Monte Carlo
Nuclear Physics B - Proceedings Supplements, 1989Abstract The Hybrid Monte Carlo algorithm requires a mapping on phase space which is area-preserving, reversible, and at least approximately conserves energy. We are thus naturally lead to investigate schemes for the numerical integration of Hamilton's equations.
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Hybrid Monte Carlo simulation of silica
Chemical Engineering Science, 1994Abstract A novel Hybrid Monte Carlo simulation method is used in conjunction with an accurate pairwise additive interatomic potential (Tsuneyuki , 1988, Phys. Rev. Lett. 61 , 869) to study the phase diagram of silica. In the Hybrid Monte Carlo formalism discussed in this work trial moves are proposed by resorting to molecular dynamics techniques ...
Friedrich A. Brotz, Juan J. De Pablo
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Monte Carlo (Hybrid) Suprathermal Electron Transport
Physical Review Letters, 1979A 1-D hybrid model for electron transport in laser targets is introduced, in which the suprathermal electrons are collisional PIC particles, the thermal electrons are a donor-cell fluid, and the E field is calculated by artificially dilating the plasma period. The scheme shows that resistive E fields are too transient and that a calculated ion-acoustic
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Computational Methods in Heterogeneous Catalysis
Chemical Reviews, 2021Benjamin W J Chen +2 more
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