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This talk is titled "A free toolchain from molecular vibrations to detailed combustion: How (some) physical chemists and chemical engineers have escaped proprietary software," and was presented at LibrePlanet 2022 by Mark Fuller and Kfir Kaplan.
Mark Fuller and Kfir Kaplan are both members of the Kinetics and Chemical Technology laboratory under Prof. Alon Dana at the Technion in Israel. Both Mark and Kfir are active in developing and contributing to free, libre software projects within the scientific community including Cantera, the Reaction Mechanism Generator, and the Automatic Rate Calculator.
This talk is about how -- despite having previously been dominated by commercial, nonfree software -- physical chemistry and chemical engineering research are increasingly performed with free software applications. This presentation will focus on the capabilities and integration of the software and how it provides superior usability and efficiency compared to proprietary offers, and we also provide case studies in its use and development.