Global Pathway Selection with Zero-RK
Russell A. Whitesides, Xian Gao · OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) · 2024
Global Pathway Selection (GPS) is an algorithm to effectively generates reduced (skeletal) chemistry mechanisms, which speeds up simulations and can be used as a systematic analytics tool to extract insights from complex reacting system. This release is an extension of the original code to run in parallel and to use LLNL's Zero-RK solver for fast solution of chemical problems.