Open-source software developed in our group

OCTP: A Tool for On-the-Fly Calculation of Transport Properties of Fluids with the Order-n Algorithm in LAMMPS

Code

Publication

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Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method

Code

Publication 1 & Publication 2

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CASpy: Open Source Solver for Chemical Reaction and Absorption Equilibria

Code

Publication

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RE/GE MC: Monte Carlo code for performing simulations in the combined Reaction/Gibbs Ensemble

Code

Publication