Introductory and review material

The best way to learn about QMC is to come to one of our summer schools, but if you can’t wait till next August, here is some review material that you can read:

Review articles

  • Quantum Monte Carlo and related methods” by B.M. Austin, D.Y. Zubarev, and W.A. Lester (2012) [link]
  • Applications of quantum Monte Carlo methods in condensed systems” by Jindřich Kolorenč and Lubos Mitas, Rep. Prog. Phys. 74, 026502 (2011) [link]
  • Continuum variational and diffusion quantum Monte Carlo calculations” by R.J. Needs, M.D. Towler, N.D. Drummond, and P. López Ríos (2009) [PDF]
  • Quantum Monte Carlo, or, how to solve the many-particle Schrödinger equation accurately whilst retaining favourable scaling with system size” by M.D. Towler (2009) [PDF]
  • Petascale computing opens up new vistas for quantum Monte Carlo” (PDF) by M.J. Gillan, M.D. Towler and D. Alfè (2011 Psi-k Scientific Highlight of the Month)
  • Quantum Monte Carlo for atoms, molecules and solids“, W.A. Lester Jr., L. Mitas and B. Hammond, Chem. Phys. Lett. 478, 1–10 (2009) [link]
  • Variational and diffusion quantum Monte Carlo calculations with the CASINO code” by R.J. Needs, M.D. Towler, N.D. Drummond, P. López Ríos and J.R. Trail, J. Chem. Phys. 152, 154106 (2020) [link]


  • Quantum Monte Carlo programming for atoms, molecules, clusters and solids” by Wolfgang Schattke and Ricardo Díez Muiño (Wiley 2013) [amazon]
  • Monte Carlo methods In ab initio quantum chemistry: quantum Monte Carlo for molecules” by B.L. Hammond, W.A. Lester, and P.J. Reynolds (Wspc 1994) [amazon] (old but still worth reading for the beginner)

Other stuff

The site has a collection of material about QMC here.

For what it’s worth, you can also look at the main Wikipedia article on QMC. Someone please improve it!

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