Nová publikace se spoluautorstvím Matúše Dubeckého!
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer Odkaz zde: https://doi.org/10.1063/5.0272974 Abstrakt: 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 molecular properties. Furthermore, its excellent scalability with system complexity and near-perfect…