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block-copolymer

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simahashemi / Block-Copolymer-Escape-Dynamics-Simulation

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Simulation of block copolymer escape dynamics using a bead-spring model with Monte Carlo and forward-flux sampling. Includes free-energy profiling via umbrella sampling and escape rate estimation from micelle cores.

statistical-mechanics computational-physics monte-carlo-simulation stochastic-processes umbrella-sampling molecular-modeling self-consistent-field-theory reaction-coordinate polymer-dynamics block-copolymer forward-flux-sampling free-energy-profile escape-rate
  • Updated May 25, 2025
  • Python

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