Repositories list

• PES2MP

  Public
  Psi4 based Potential energy surface for 1D/2D/4D collisions; TensorFlow (neural networks) Augmenting; Curve Fitting And Multipole Expansion

  machine-learningcollisioncurve-fitting+ 10neural-networksastrochemistrycollisional-cross-sectionpotential-energy-surfacesab-initio-simulationsrate-coefficientsmultipole-expansion+ 3

  Python

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  Apache License 2.0

  •0•2•0•0•Updated Feb 8, 2025Feb 8, 2025

• PES2MP_ipynb

  Public
  PES2MP: Get radial coefficients from PES via multipole expansion

  collisioncomputational-chemistrycurve-fitting+ 11spherical-harmonicsscatteringastrochemistrysupervised-machine-learningtheoretical-chemistrychemical-physicsmultipole+ 4

  Jupyter Notebook

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  MIT License

  •0•1•0•0•Updated Sep 13, 2023Sep 13, 2023