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pyPRISM: A Computational Tool for Liquid State Theory Calculations of Macromolecular Materials

Data provided by  National Institute of Standards and Technology

Polymer Reference Interaction Site Model (PRISM) theory describes the equilibrium spatial-correlations of liquid-like polymer systems including melts, blends, solutions, block copolymers, ionomers, liquid crystal forming polymers and nanocomposites. Using PRISM theory, one can calculate thermodynamic (e.g., second virial coefficients, Flory-Huggins interaction parameters, potentials of mean force) and structural (eg., pair correlation functions, structure factors) information for these macromolecular materials.

Tags: polymer,theory,liquid-state theory,python,polymer nanocomposite,polymer solution,X-ray scattering,neutron scattering,software,tool,computation,

Modified: 2024-02-22

Views: 0

pyLLE: a Fast and User Friendly Lugiato-Lefever Equation Solver

Data provided by  National Institute of Standards and Technology

We present the development of pyLLE, a freely accessible Lugiato-Lefever equation solver programmed in Python and Julia and optimized for the simulation of microresonator frequency combs. Examples illustrating its operation and performance are presented.

Tags: photonics,optics,frequency combs,python,julia,

Modified: 2024-02-22

Views: 0