yup, we used PME for non-bonded calculations in our simulations and to calculate things like electric potentials. I finished a biophysics phd back in 2020 and focused mainly on fluid flow.
helping genentech scientists move to the cloud. I stopped being a scientist a long time ago and now I just sort of help scientists with the stuff I'm already good at.
dekhn|4 years ago
unemphysbro|4 years ago
i saw some of your other comments about being at google. did you touch jax-md at all?
https://github.com/google/jax-md