Reaction dynamics of a unimolecular conformational isomerization in a bath

• Shibabrat Naik (School of Mathematics, University of Bristol)

Souce codes and scripts for studying the reaction dynamics using a system-bath model of a unimolecular conformational isomerization.

Features

• Computing tube manifolds of the De Leon-Berne model of unimolecular conformational isomerization.

• Obtaining reactive islands for a range of total energies and model parameters.

• Computing Lagrangian descriptor on the $(x,p_x)$ slice in the 4D phase space of the De Leon-Berne model.

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Copyright and License

(c) 2019 Shibabrat Naik. All content is under Creative Commons Attribution CC-BY 4.0, all the MATLAB and python scripts are under BSD-3 clause, and the GNU Scientific Library based C++ codes are under GNU GPL v3.0.