CHEMNODE: CHEMICAL KINETICS SOLVER APPROACH BASED ON NEURAL ORDINARY DIFFERENTIAL EQUATIONS
Software
·
OSTI ID:1787853
This software contains an algorithm to model and predict the time evolution of chemical kinetics in reacting flow simulations using neural ordinary differential equations (NODEs). The approach works by using artificial neural networks to predict the chemical source terms. It achieves this by using forward-mode automatic differentiation and the Levenberg-Marquardt algorithm to adjust the neural network parameters, such that the discrepancies between the actual and predicted species profiles are minimized.
- Short Name / Acronym:
- CHEMNODE; 006029MLTPL00
- Version:
- 00
- Programming Language(s):
- Medium: X; OS: All
- Research Organization:
- Argonne National Laboratory (ANL), Argonne, IL (United States)
- Sponsoring Organization:
- USDOE Office of Environmental Management (EM), Regulatory and Policy Affairs. Waste and Materials Management
- Contributing Organization:
- ARGONNE NATIONAL LABORATORY
- DOE Contract Number:
- AC02-06CH11357
- OSTI ID:
- 1787853
- Country of Origin:
- United States
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