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Federico Grasselli

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Federico Grasselli

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Thermal transport of glasses via machine learning driven simulations

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

Effect of a temperature gradient on the screening properties of ionic fluids

Robustness of Local Predictions in Atomistic Machine Learning Models

Temperature- and vacancy-concentration-dependence of heat transport in Li3ClO from multi-method numerical simulations

Topology, Oxidation States, and Charge Transport in Ionic Conductors

Predicting hot-electron free energies from ground-state data

Uncertainty estimation for molecular dynamics and sampling

Invariance principles in the theory and computation of transport coefficients

Heat and charge transport in H2O at ice-giant conditions from ab initio molecular dynamics simulations