(115h) The Shape of Molecular Interactions: Using Classical Models to Rationalize Atomistic Behavior | AIChE

(115h) The Shape of Molecular Interactions: Using Classical Models to Rationalize Atomistic Behavior

Authors 

Cersonsky, R. - Presenter, EPFL STI IMX COSMO
Entropy is a driving force of self-organization, as witnessed by the many instances of self-assembly occurring in systems without explicit enthalpic interactions. However, how can we understand this driving force when enthalpy is also at play? In honor of Sharon Glotzer's 60th birthday, I will revisit some earlier work to discuss the role of entropy in atomistic systems, from high pressure group IV elements to metals to organic molecules, weaving a line as to how entropy can be understood in complex systems, not only those where we set U=0.