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1. MQCT MQCT Public

   Computes inelastic scattering cross sections for rotational and vibrational state-to-state transitions in molecule-molecule collisions using a mixed quantum/classical theory approach. Several level…

   Fortran 7 2

2. AIRates AIRates Public

   This is a program that used a machine learning approach to predict a large database of cross sections for state-to-state transitions in a molecule + molecule collision based on a small dataset for …

3. MOLRATES MOLRATES Public

   Database of rate coefficients for molecular state-to-state transitions computed using MQCT code

   Fortran

4. ParMESol ParMESol Public

   Parallel master equation solver. This code solves the system of coupled differential equations within the master equation (ME) formalism to describe the kinetics of recombination reaction at the le…

   Fortran

5. QDE QDE Public

   Forked from GaidaiIgor/qde

   Solves systems of ordinary first-order nonlinear differential equations by reformulating them in terms of Quadratic Unconstrained Binary Optimization (QUBO) problems, which allows to obtain solutio…

   Python

6. SpectrumSDT SpectrumSDT Public

   Forked from GaidaiIgor/SpectrumSDT

   A parallel Fortran program for calculation of ro-vibrational energy levels and lifetimes of ABA-molecules.

   Fortran