3 papers
physics.comp-ph2025
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer
Flaviano Della Pia, Benjamin X. Shi, Yasmine S. Al-Hamdani +30
Fixed-node diffusion quantum Monte Carlo (FN-DMC) is a widely-trusted many-body method for solving the Schrödinger equation, known for its reliable predictions of material and mol…
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 readil…
quant-ph2024
Variational Benchmarks for Quantum Many-Body Problems
Dian Wu, Riccardo Rossi, Filippo Vicentini +30
The continued development of computational approaches to many-body ground-state problems in physics and chemistry calls for a consistent way to assess its overall progress. In this…