"au:"Flaviano Della Pia"" — arXiv2 Search

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"au:"Flaviano Della Pia"" — arXiv2 Search

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Jul 4, 2022DMC-ICE13: ambient and high pressure polymorphs of ice from Diffusion Monte Carlo and Density Functional Theory Feb 21, 2025Accurate and efficient machine learning interatomic potentials for finite temperature modeling of molecular crystals Jan 22, 2025Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer Jun 26, 2024On the increase of the melting temperature of water confined in one-dimensional nano-cavities Dec 20, 2024Systematic discrepancies between reference methods for non-covalent interactions within the S66 dataset Feb 20, 2024How accurate are simulations and experiments for the lattice energies of molecular crystals?May 30, 2024Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies Mar 2, 2026Efficient first-principles modeling of complex molecular crystals at sub-chemical accuracy Dec 29, 2023A foundation model for atomistic materials chemistry