Spatial Decomposition of Entropy in the Harmonic Approximation. Applications??

Tuesday, April 10, 2018 - 10:00am - 11:00am
Lind 409
Christoph Ortner (University of Warwick)
Spatial decomposition of potential energy of atomistic systems leads to accurate and efficient a/c and qm/mm multiscale schemes. Does an analogous spatial decomposition of entropy exist? If yes, is it useful?