72 citations · 185 across the 5 of their papers we have counts for
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cond-mat.mtrl-sci2021★ 72 cited
Heat transport in liquid water from first-principles and deep-neural-network simulations
Davide Tisi, Linfeng Zhang, Riccardo Bertossa +3
We compute the thermal conductivity of water within linear response theory from equilibrium molecular dynamics simulations, by adopting two different approaches. In one, the potent…
physics.comp-ph2021★ 12 cited
QEHeat: An open-source energy flux calculator for the computation of heat-transport coefficients from first principles
Aris Marcolongo, Riccardo Bertossa, Davide Tisi +1
We give a detailed presentation of the theory and numerical implementation of an expression for the adiabatic energy flux in extended systems, derived from density-functional theor…