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Treating random sequential addition via the replica method.

Ryan B JadrichBeth A LindquistThomas M Truskett
Published in: The Journal of chemical physics (2022)
While many physical processes are non-equilibrium in nature, the theory and modeling of such phenomena lag behind theoretical treatments of equilibrium systems. The diversity of powerful theoretical tools available to describe equilibrium systems has inspired strategies that map non-equilibrium systems onto equivalent equilibrium analogs so that interrogation with standard statistical mechanical approaches is possible. In this work, we revisit the mapping from the non-equilibrium random sequential addition process onto an equilibrium multi-component mixture via the replica method, allowing for theoretical predictions of non-equilibrium structural quantities. We validate the above approach by comparing the theoretical predictions to numerical simulations of random sequential addition.
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • molecular docking
  • aqueous solution
  • high resolution
  • physical activity
  • mass spectrometry
  • high density
  • neural network