12 citations · 24 across the 6 of their papers we have counts for
4 papers · 1 filter
Spin Dynamics from Atomistic Quantum Simulations
Enrico Drigo, Marquis M. McMillan, Benjamin Pingault +4
Optically active solid-state spin defects are promising candidates for quantum applications, however a unified theoretical framework to predict their spin dynamics at high temperat…
Seebeck coefficient of ionic conductors from Bayesian regression analysis
Enrico Drigo, Stefano Baroni, Paolo Pegolo
We propose a novel approach to evaluating the ionic Seebeck coefficient in electrolytes from relatively short equilibrium molecular dynamics simulations, based on the Green-Kubo th…
Heat conductivity from energy-density fluctuations
Enrico Drigo, Maria Grazia Izzo, Stefano Baroni
We present a method, based on the classical Green-Kubo theory of linear response, to compute the heat conductivity of extended systems, leveraging energy-density, rather than energ…
Seebeck coefficient of liquid water from equilibrium molecular dynamics
Enrico Drigo, Stefano Baroni
The application of a temperature gradient to an extended system generates an electromotive force that induces an electric current in conductors and a macroscopic polarization in in…