Alfè, Dario
- DMC-ICE13: ambient and high pressure polymorphs of ice from Diffusion Monte Carlo and Density Functional Theory
2022/07/04 by Della Pia, Flaviano, Zen, Andrea, Alfè, Dario +1 · 4 citations
#FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
- Accurate and efficient machine learning interatomic potentials for finite temperature modeling of molecular crystals
2025/02/21 by Della Pia, Flaviano, Shi, Benjamin X., Kapil, Venkat +3 · 4 citations
#Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
- Basis set incompleteness errors in fixed-node diffusion Monte Carlo calculations on non-covalent interactions
2024/11/30 by Kousuke Nakano, Nakano, Kousuke, Benjamin X. Shi +5 · 3 citations
Computer Science · Physics and Astronomy · #Advanced Mathematical Modeling in Engineering #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Theoretical and Computational Physics
- Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer
2025/01/22 by Flaviano Della Pia, Benjamin X. Shi, Della Pia, Flaviano +69 · 1 voice · 3 citations
Medicine · Physics and Astronomy · #Advanced Neuroimaging Techniques and Applications #NMR spectroscopy and applications #Physics of Superconductivity and Magnetism #cond-mat.mtrl-sci #physics.chem-ph #physics.comp-ph