Questions tagged [monte-carlo]

For questions related to Monte Carlo methods, which solve deterministic numerical problems via a probabilistic sampling approach.

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3answers
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What are the types of Quantum Monte Carlo?

Similar to: What are the types of SCF? What are the types of MCSCF? What are the types of ab initio Molecular Dynamics? What are the types of pseudopotentials? What are the types of DFT? What are the ...
12
votes
1answer
400 views

Are there examples of ab initio predictions on small molecules without the “major approximations”?

In most textbooks the precise Schrödinger euqation of a molecule is given (and the "beautiful thing" stops here), then born oppenheimer approximation is made, then layers of other ...
13
votes
0answers
159 views

Why does the Wolff algorithm slow down in a 4-body Ising model?

In the paper that introduced "Self-learning MC" (an ML-inspired MC technique, as I understand) the authors consider a many-body Ising model as an example to show the efficiency of their ...
12
votes
2answers
192 views

Autocorrelation function problem in Monte Carlo simulation of 2D Ising model

Currently, I did a Monte Carlo simulation with the local update and Wolff cluster updated in 2D classical Ising model. I use the autocorrelation function to compare 2 different algorithm in critical ...