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>For anyone surprised that they only needed up to 1 GPU per simulation: their models appeared to be largely based in rate-kinetics; it's not like they were simu
by dTal 5y ago
>For anyone surprised that they only needed up to 1 GPU per simulation: their models appeared to be largely based in rate-kinetics; it's not like they were simulating atoms or really even molecules, but rather more like they were simulating concentrations of molecules.
Ah so it's sort of like CFD but with chemical interactions thrown into the mix?
- _Nat_ 5y agoYup, you're right: their more complex model was largely based in [continuum mechanics](https://en.wikipedia.org/wiki/Continuum_mechanics https://en.wikipedia.org/wiki/Continuum_mechanics ), just like CFD. Without specifically checking, I'd guess that they probably ignored some of the stuff involved in normal CFD, e.g. pressure-driven flows. In fact, their well-mixed model (their simpler model that didn't need a GPU) basically ignores fluid-dynamics entirely, since it ignores spatial-variation and so there're no fluid-dynamics to model. Their non-mixed model (their more complex model that did use a GPU) probably relied on diffusive-transport, without regard for stuff like pressure-driven flows. So, yeah, CFD -- lighter on the mechanical-dynamics (like spatial-flows) and heavier on the chemical-dynamics (like chemical-reactions).