Bruce
May I have your thoughts on the parallelization via domain decomposition in Julia?
Great project. Here is some information may be relevant: https://arxiv.org/abs/2003.00868 https://frankschae.github.io/post/shadowing/ basically, the automatic differentiation through a trajectory generated by a stiff differential equation (MD simulations can be considered as...
Thank you for your reply! I will take a look at the notebook and very much looking forward to the jax-md support.