A hybrid atomistic-continuummethod is presented for incorporating Joule heating into large-scale molecular dynamics (MD) simulations. When coupled to a continuum thermostat, the method allows resistive heating and heat transport in metals to be modeled without explicitly including electronic degrees of freedom. Atomic kinetic energies in a MD simulation are coupled via an ad hoc feedback loop t...

Ion currents associated with channel proteins in the presence of membrane potential are ubiquitous cellular and organelle membranes. When an ion current occurs through a protein, Joule heating should occur. However, this seems to have been largely overlooked biology. Here we show theoretical investigation involving biological processes. We used electrochemical derive Joule’s law for transport p...