The Basics of Quantum Monte Carlo

By Lucas Wagner1; Jeffrey C Grossman2; Jeffrey B. Neaton3

1. University of Illinois at Urbana-Champaign 2. Massachusetts Institute of Technology 3. Lawrence Berkeley National Laboratory

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Abstract

Quantum Monte Carlo is a highly accurate method to approximately solve the Schrodinger equation. I explain quantum Monte Carlo in a way that should be accessible to someone who is somewhat familiar with quantum mechanics. The discussion is mostly conceptual.

Bio

Lucas Wagner is a postdoctoral researcher in the Computational Nanosciences group at UC Berkeley, under the supervision of Dr. Jeffrey Grossman. One of his PhD projects was the development of a general purpose quantum Monte Carlo program available under the GPL at www.qwalk.org.

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Cite this work

Researchers should cite this work as follows:

  • Lucas Wagner, Jeffrey C Grossman, Jeffrey B. Neaton (2007), "The Basics of Quantum Monte Carlo," https://nanohub.org/resources/2816.

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Tags

  1. chemistry
  2. computational chemistry
  3. computational materials science
  4. introductory
  5. materials science
  6. Monte Carlo
  7. NCN Group - Materials Science
  8. quantum
  9. quantum chemistry
  10. quantum mechanics
  11. QWalk