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Monte Carlo methods for particle transport have been driving computational developments since the beginning of modern computers; this continues today. In the 1950s and 1960s, these new methods were organized into a series of special-purpose Monte Carlo codes, including MCS, MCN, MCP, and MCG. These codes were able to transport neutrons and ...
Monte Carlo simulation: Drawing a large number of pseudo-random uniform variables from the interval [0,1] at one time, or once at many different times, and assigning values less than or equal to 0.50 as heads and greater than 0.50 as tails, is a Monte Carlo simulation of the behavior of repeatedly tossing a coin.
Thus, it is the application of the Metropolis Monte Carlo simulation to molecular systems. It is therefore also a particular subset of the more general Monte Carlo method in statistical physics. It employs a Markov chain procedure in order to determine a new state for a system from a previous one. According to its stochastic nature, this new ...
Pages in category "Monte Carlo molecular modelling software" The following 8 pages are in this category, out of 8 total. This list may not reflect recent changes. B.
The key ingredient was the random cluster model, a representation of the Ising or Potts model through percolation models of connecting bonds, due to Fortuin and Kasteleyn. It has been generalized by Barbu and Zhu [ 1 ] to arbitrary sampling probabilities by viewing it as a Metropolis–Hastings algorithm and computing the acceptance probability ...
From 1950 to 1996, all the publications on particle filters, and genetic algorithms, including the pruning and resample Monte Carlo methods introduced in computational physics and molecular chemistry, present natural and heuristic-like algorithms applied to different situations without a single proof of their consistency, nor a discussion on the bias of the estimates and genealogical and ...
In computational statistics, the Metropolis-adjusted Langevin algorithm (MALA) or Langevin Monte Carlo (LMC) is a Markov chain Monte Carlo (MCMC) method for obtaining random samples – sequences of random observations – from a probability distribution for which direct sampling is difficult.
The quantum jump method, also known as the Monte Carlo wave function (MCWF) is a technique in computational physics used for simulating open quantum systems and quantum dissipation. The quantum jump method was developed by Dalibard , Castin and Mølmer at a similar time to the similar method known as Quantum Trajectory Theory developed by ...