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physics.chem-ph2026
jQMC: A JAX-based ab initio quantum Monte Carlo package designed for GPU-accelerated computing
Kousuke Nakano, Michele Casula
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 im…
physics.chem-ph2025
Load-Balanced Diffusion Monte Carlo Method with Lattice Regularization
Kousuke Nakano, Sandro Sorella, Michele Casula
Ab initio quantum Monte Carlo (QMC) is a stochastic approach for solving the many-body Schrödinger equation without resorting to one-body approximations. QMC algorithms are readily…