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Simulation of a particle in a 2D Lennard-Jones gas for studying brownian motion, the Langevin equation, and non-equilibrium fluctuation-dissipation relations. Langevin simulation for studying first passage time, survival probabilities under various resetting schemes.
Python scripts to analyze and visualize the data presented in the research article: "The maximum solubility product marks the threshold for condensation of multivalent biomolecules".
Variationally enhanced sampling for single-particle langevin dynamics with neural network bias potentials and path collective variables. Based on OpenMM + PyTorch.