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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.

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Instructions

Deps

  • python 3 with numpy, scipy, matplotlib, pandas and cffi modules installed
  • Jupyter
  • SFML

Lennard-Jones gas simulation

  • Compile the simulation core and the CFFI module with make brownian-motion-pysimul (with SFML) or make brownian-motion-pysimul-headless (without display)
  • Run simulation with the Jupyter notebook main.ipynb

Langevin simulations for computing survival probabilities and MFPT

  • Compile the simulation core and the CFFI module with make langevin-survival-pysimul after adjusting the various flags in langevin-survival.cpp
  • For computing the survival probabilities, run the simulation with one of the Jupyter notebook in langevin-survival/
  • For computing the MFPT, run the simulation with langevin-mfpt/langevin-ft-automated.ipynb

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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.

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