Dario Alfè

4PUBLICATIONS
9CO-AUTHORS
Colloid and surface chemistryTheoretical quantum chemistryChemical thermodynamics and energetics
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Publications (4)

|Nov 03, 2019
Interaction between water and carbon nanostructures: How good are current density functional approximations?

Jan Gerit Brandenburg, Andrea Zen, Dario Alfè

|Oct 10, 2019
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias.

Andrea Zen, Jan Gerit Brandenburg, Angelos Michaelides

|Aug 03, 2017
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy.

Yasmine S Al-Hamdani, Mariana Rossi, Dario Alfè

|Jun 03, 2017
A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface.

Theodoros Tsatsoulis, Felix Hummel, Denis Usvyat

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