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Davide Tisi

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Publications associées (5)

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DeePMD-kit v2: A software package for deep potential models

Davide Tisi

DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used in the fields of phy ...

AIP Publishing2023

Thermal conductivity of Li 3 PS 4 solid electrolytes with ab initio accuracy

Michele Ceriotti, Federico Grasselli, Davide Tisi, Lorenzo Gigli

The vast amount of computational studies on electrical conduction in solid-state electrolytes is not mirrored by comparable efforts addressing thermal conduction, which has been scarcely investigated despite its relevance to thermal management and (over)he ...

Amer Physical Soc2024

Mechanism of Charge Transport in Lithium Thiophosphate

Michele Ceriotti, Federico Grasselli, Davide Tisi, Lorenzo Gigli

Lithium ortho-thiophosphate (Li3PS4) has emerged as a promising candidate for solid-state electrolyte batteries, thanks to its highly conductive phases, cheap components, and large electrochemical stability range. Nonetheless, the microscopic mechanisms of ...

2024

Is there a future for 43Ca nuclear magnetic resonance in cement science?

Davide Tisi

Calcium and silicon are critical components of cement. While 29Si nuclear magnetic resonance (NMR) is widely used in cement science, 43Ca NMR has received comparatively less attention given the experimental challenges associated with it. To investigate the ...

2025

i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

Michele Ceriotti, Guillaume André Jean Fraux, Matthias Linus Kellner, Davide Tisi

Atomic-scale simulations have progressed tremendously over the past decade, largely thanks to the availability of machine-learning interatomic potentials. These potentials combine the accuracy of electronic structure calculations with the ability to reach ...

2024