Questions tagged [partial-differential-equations]

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

Filter by
Sorted by
Tagged with
16 votes
0 answers
174 views

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

I was wondering if anybody can recommend an easy-to-use library/program to solve the 3D Poisson equation $\nabla^2 V(r,\theta,\phi) = \rho(r,\theta,\phi)$ with vanishing solutions at infinity: $$V(r,\...
Emil Zak's user avatar
  • 896
13 votes
1 answer
145 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 ...
SalvaCardona's user avatar
  • 1,590