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Differentiable and hardware accelerated chemical kinetics simulations in python using JAX

License: MIT License

Python 100.00%
automatic-differentiation chemical-kinetics combustion-models jax jit

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jax-reactor's Issues

Discussion regarding the BDF solver

The BDF solver is really cool! I have a quick question regarding the AD of BDF solver.

Is it possible to use Auto-Differentiation across the BDF solver, so that we can do efficient adjoint sensitivity analysis?

For adjoint sensitivity analysis, we have the species concentrations Y = F(t), and we define a loss function g(Y) and compute the gradient of g(Y) for optimizing the mechanism.

Pressure-dependent reaction type

Hi,

It seems the pressure-dependent reaction type is not considered in yaml file parsing. If I want to add support to this reactions type myself, which parts of the code do I need to modify?

Thanks,
Yinmin

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