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Automated Development of a Comprehensive Microkinetic Model for Catalysis

Post, June 16, 2026 • Combustion Research Facility researchers Chris Kliewer, Judit Zádor, Shinae Kim and Eric Smoll published a paper in "The Journal of Physical Chemistry C" on "Automated Theoretical Investigation of the Ammonia Decomposition Reaction Network on Pt(111)". In this work, the authors mapped out the potential energy surfaces of ammonia decomposition and...