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Remembering the work of Phillip L. Geissler: A coda to his scientific trajectory
Gregory R. Bowman, Stephen J. Cox, Christoph Dellago +19
Phillip L. Geissler made important contributions to the statistical mechanics of biological polymers, heterogeneous materials, and chemical dynamics in aqueous environments. He dev…
White-noise fluctuation theorem for Langevin dynamics
Max Innerbichler, Andrei Militaru, Martin Frimmer +2
Fluctuation theorems based on time-reversal have provided remarkable insight into the non-equilibrium statistics of thermodynamic quantities like heat, work, and entropy production…
Elastic Forces Drive Nonequilibrium Pattern Formation in a Model of Nanocrystal Ion Exchange
Layne B. Frechette, Christoph Dellago, Phillip L. Geissler
Chemical transformations, such as ion exchange, are commonly employed to modify nanocrystal compositions. Yet the mechanisms of these transformations, which often operate far from…
The Origin of Mean-Field Behavior in an Elastic Ising Model
Layne B. Frechette, Christoph Dellago, Phillip L. Geissler
Simple elastic models of spin-crossover compounds are known empirically to exhibit classical critical behavior. We demonstrate how the long-ranged interactions responsible for this…
Consequences of lattice mismatch for phase equilibrium in heterostructured solids
Layne B. Frechette, Christoph Dellago, Phillip L. Geissler
Lattice mismatch can substantially impact the spatial organization of heterogeneous materials. We examine a simple model for lattice-mismatched solids over a broad range of tempera…
Theoretical prediction of the homogeneous ice nucleation rate: disentangling thermodynamics and kinetics
Bingqing Cheng, Christoph Dellago, Michele Ceriotti
Estimating the homogeneous ice nucleation rate from undercooled liquid water is at the same time crucial for understanding many important physical phenomena and technological appli…