(115h) The Shape of Molecular Interactions: Using Classical Models to Rationalize Atomistic Behavior
AIChE Annual Meeting
2024
2024 AIChE Annual Meeting
Computational Molecular Science and Engineering Forum
Special Session In Honor of Prof. Sharon Glotzer's 60th Birthday II (Invited Talks)
Monday, October 28, 2024 - 2:15pm to 2:30pm
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.