Symbolic construction of the chemical Jacobian of quasi-steady state (QSS) chemistries for Exascale computing platforms
Malik Hassanaly, Nicholas T. Wimer, Anne Felden, Lucas Esclapez, J.T. Ream, Marc Henry de Frahan, Jon Rood, Marc Day
Topics & Concepts
Jacobian matrix and determinantChemistrySteady state (chemistry)State (computer science)Exascale computingParallel computingMechanicsComputer scienceSupercomputerPhysicsPhysical chemistryApplied mathematicsMathematicsAlgorithmAdvanced Thermodynamics and Statistical MechanicsAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical Studies