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Add variational Monte Carlo - #22

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ohno merged 29 commits into
mainfrom
codex/implement-vmc
Aug 10, 2026
Merged

Add variational Monte Carlo#22
ohno merged 29 commits into
mainfrom
codex/implement-vmc

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@ohno

@ohno ohno commented Aug 10, 2026

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Summary

  • add a variational Monte Carlo solver with symmetric Metropolis sampling
  • support burn-in, thinning, multiple walkers, reproducible RNG defaults, and sampling diagnostics
  • evaluate local energies with ForwardDiff and document a Thijssen hydrogen example
  • update Antique.jl compatibility to 0.15

Motivation

Closes #7 by providing a tested VMC implementation and user documentation.

Validation

  • Pkg.test() — 290 tests passed
  • julia --project=docs docs/make.jl — Documenter build succeeded
  • hydrogen example: E = -0.4795538519763286 (exact trial expectation -0.4800)

This pull request was developed with assistance from Codex using GPT-5.6 Sol with High reasoning effort.

@ohno
ohno marked this pull request as ready for review August 10, 2026 09:36
@ohno
ohno merged commit b1743a5 into main Aug 10, 2026
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Add VMC

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