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Flaviano Della Pia
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4
Accurate and efficient machine learning interatomic potentials for finite temperature modeling of molecular crystals
4 March 2025 by
Flaviano Della Pia
and
others
Computational Physics
,
Materials Science
Is fixed-node diffusion quantum Monte Carlo reproducible?
22 January 2025 by
Flaviano Della Pia
and
others
Computational Physics
,
Materials Science
Systematic discrepancies between reference methods for non-covalent interactions within the S66 dataset
20 December 2024 by
Benjamin Shi
and
others
Chemical Physics
,
Quantum Physics
On the increase of the melting temperature of water confined in one-dimensional nano-cavities
26 June 2024 by
Flaviano Della Pia
and
others
Materials Science
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
30 May 2024 by
Harveen Kaur
and
others
at
Mullard Space Science Laboratory
Materials Science
,
Chemical Physics
A foundation model for atomistic materials chemistry
1 March 2024 by
Ilyes Batatia
and
others
at
University of Cambridge
Chemical Physics
,
Materials Science
How accurate are simulations and experiments for the lattice energies of molecular crystals?
20 February 2024 by
Flaviano Della Pia
and
others
Materials Science
,
Chemical Physics
DMC-ICE13: ambient and high pressure polymorphs of ice from Diffusion Monte Carlo and Density Functional Theory
4 July 2022 by
Flaviano Della Pia
and
others
Materials Science
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Materials Science
Chemical Physics
