DELLA PIA, FLAVIANO
DELLA PIA, FLAVIANO
DIPARTIMENTO DI FISICA "ETTORE PANCINI"
DMC-ICE13: ambient and high pressure polymorphs of ice from Diffusion Monte Carlo and Density Functional Theory
2022 Della Pia, Flaviano; Zen, Andrea; Alfe, Dario; Michaelides, Angelos
How Accurate Are Simulations and Experiments for the Lattice Energies of Molecular Crystals?
2024 Della Pia, Flaviano; Zen, Andrea; Alfe, Dario; Michaelides, Angelos
On the increase of the melting temperature of water confined in one-dimensional nano-cavities
2024 Della Pia, Flaviano; Zen, Andrea; Kapil, Venkat; Thiemann, Fabian L.; Alfe, Dario; Michaelides, Angelos
Systematic discrepancies between reference methods for noncovalent interactions within the S66 dataset
2025 Shi, Benjamin X.; Della Pia, Flaviano; Al-Hamdani, Yasmine S.; Michaelides, Angelos; Alfe, Dario; Zen, Andrea
Accurate and efficient machine learning interatomic potentials for finite temperature modelling of molecular crystals
2025 Della Pia, Flaviano; Shi, Benjamin X.; Kapil, Venkat; Zen, Andrea; Alfe', Dario; Michaelides, Angelos
Interaction strength of carbon dioxide on graphene from periodic quantum diffusion Monte Carlo
2025 Della Pia, Flaviano; Kler-Young, Giaan; Zen, Andrea; Berger, Fabian; Alfe, Dario; Michaelides, Angelos
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer
2025 Della Pia, Flaviano; Shi, Benjamin X.; Al-Hamdani, Yasmine S.; Alfe, Dario; Anderson, Tyler A.; Barborini, Matteo; Benali, Anouar; Casula, Michele; Drummond, Neil D.; Dubecký, Matúš; Filippi, Claudia; Kent, Paul R. C.; Krogel, Jaron T.; López Ríos, Pablo; Lüchow, Arne; Luo, Ye; Michaelides, Angelos; Mitas, Lubos; Nakano, Kousuke; Needs, Richard J.; Per, Manolo C.; Scemama, Anthony; Schultze, Jil; Shinde, Ravindra; Slootman, Emiel; Sorella, Sandro; Tkatchenko, Alexandre; Towler, Mike; Umrigar, C. J.; Wagner, Lucas K.; Wheeler, William A.; Zhou, Haihan; Zen, Andrea
| Titolo | Tipologia | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|---|
| DMC-ICE13: ambient and high pressure polymorphs of ice from Diffusion Monte Carlo and Density Functional Theory | 1.1 Articolo in rivista | 2022 | Della Pia, Flaviano; Zen, Andrea; Alfe, Dario; Michaelides, Angelos | |
| How Accurate Are Simulations and Experiments for the Lattice Energies of Molecular Crystals? | 1.1 Articolo in rivista | 2024 | Della Pia, Flaviano; Zen, Andrea; Alfe, Dario; Michaelides, Angelos | |
| On the increase of the melting temperature of water confined in one-dimensional nano-cavities | 1.1 Articolo in rivista | 2024 | Della Pia, Flaviano; Zen, Andrea; Kapil, Venkat; Thiemann, Fabian L.; Alfe, Dario; Michaelides, Angelos | |
| Systematic discrepancies between reference methods for noncovalent interactions within the S66 dataset | 1.1 Articolo in rivista | 2025 | Shi, Benjamin X.; Della Pia, Flaviano; Al-Hamdani, Yasmine S.; Michaelides, Angelos; Alfe, Dario; Zen, Andrea | |
| Accurate and efficient machine learning interatomic potentials for finite temperature modelling of molecular crystals | 1.1 Articolo in rivista | 2025 | Della Pia, Flaviano; Shi, Benjamin X.; Kapil, Venkat; Zen, Andrea; Alfe', Dario; Michaelides, Angelos | |
| Interaction strength of carbon dioxide on graphene from periodic quantum diffusion Monte Carlo | 1.1 Articolo in rivista | 2025 | Della Pia, Flaviano; Kler-Young, Giaan; Zen, Andrea; Berger, Fabian; Alfe, Dario; Michaelides, Angelos | |
| Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer | 1.1 Articolo in rivista | 2025 | Della Pia, Flaviano; Shi, Benjamin X.; Al-Hamdani, Yasmine S.; Alfe, Dario; Anderson, Tyler A.; Barborini, Matteo; Benali, Anouar; Casula, Michele; Drummond, Neil D.; Dubecký, Matúš; Filippi, Claudia; Kent, Paul R. C.; Krogel, Jaron T.; López Ríos, Pablo; Lüchow, Arne; Luo, Ye; Michaelides, Angelos; Mitas, Lubos; Nakano, Kousuke; Needs, Richard J.; Per, Manolo C.; Scemama, Anthony; Schultze, Jil; Shinde, Ravindra; Slootman, Emiel; Sorella, Sandro; Tkatchenko, Alexandre; Towler, Mike; Umrigar, C. J.; Wagner, Lucas K.; Wheeler, William A.; Zhou, Haihan; Zen, Andrea |