Author

Michele Casula

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Preprint Jul 2026

jQMC: A JAX-based ab initio quantum Monte Carlo package designed for GPU-accelerated computing

We present jQMC, a Python-based computational package for {\it ab initio} Quantum Monte Carlo (QMC) simulations, designed for modern GPU-accelerated computing environments. jQMC implements two well-established QMC algorithms: Variational Monte Carlo (VMC) and the lattice-regularized variant of Diffusion Monte Carlo (LR...

Kousuke Nakano, Michele Casula · 0 citations