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Questions tagged [partial-differential-equations]

Questions pertaining to the use of PDEs to model molecular and material processes

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Calculating the electrostatic potential of a molecule: what is a good 3D Poisson equation solver?

I was wondering if anybody can recommend an easy-to-use library/program to solve the 3D Poisson equation $\Delta V(r,\theta,\phi) = \rho(r,\theta,\phi)$ with vanishing solutions at infinity: $V(r,\...
13
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1answer
65 views

Modelling ion Drift-Diffusion under an external electric potential, convergency in PDE?

Ion drift-diffusion under the effect of an external electric field is a phenomenon with a huge relevancy in light emitting devices, neuromorphic architectures and in general molecular electronics Up ...