Dario Alfè

24PUBLICATIONS
69CO-AUTHORS
Theoretical quantum chemistryHydrometallurgyComputational complexity and computabilityStructural properties of condensed matterCondensed matter modelling and density functional theory
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Publications (24)

|Sep 22, 2026
Improving the accuracy of fixed-node diffusion Monte Carlo for non-covalent interactions.

|Aug 05, 2026
Toward viable H2 storage in Ca decorated low-dimensional materials with insights from reference quantum Monte Carlo.

|Sep 08, 2025
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer.

Flaviano Della Pia, Benjamin X Shi, Yasmine S Al-Hamdani

|Sep 04, 2025
Constraining Earth's core composition from inner core nucleation.

Alfred J Wilson, Christopher J Davies, Andrew M Walker

|Aug 19, 2025
Interaction strength of carbon dioxide on graphene from periodic quantum diffusion Monte Carlo.

Flaviano Della Pia, Giaan Kler-Young, Andrea Zen

|Jun 13, 2025
Limitations in Determining Oxidation States in Condensed Matter at the Subnanometric Scale.

Deborah Perco, Monica Pozzo, Andrea Berti

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Frequent Collaborators

13 joint publications

Andrea Zen

6 joint publications

Angelos Michaelides

6 joint publications

Flaviano Della Pia

5 joint publications

Benjamin X Shi