Machine learningStochastic Method
Quantum Monte Carlo
Quantum Monte Carlo (QMC) is a stochastic computational method for computing ground state properties of quantum many-body systems. Combining classical Monte Carlo sampling with quantum mechanics, QMC approaches are among the most accurate methods available for electronic structure and condensed matter physics, achieving sub-percent accuracy for many systems.
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Sources
- Metropolis, N., Rosenbluth, A. W., et al. (1953). Equation of state calculations by fast computing machines. Journal of Chemical Physics, 21, 1087–1092. DOI: 10.1063/1.1699114 ↗
- Reynolds, P. J., Tobochnik, J., Gould, H. (1990). Diffusion quantum Monte Carlo. Computers in Physics, 4, 662–668. DOI: 10.1063/1.4822927 ↗
- Needs, R. J., et al. (2020). Variational and diffusion quantum Monte Carlo calculations with the CASINO code. The Journal of Chemical Physics, 152, 154106. DOI: 10.1063/1.5144445 ↗