Which physical open source simulation methods worth to port to GPU

Question

Hi,

I am writing a report, and I would like to know, in your opinion, which open source physical simulation methods (like Molecular Dynamics, Brownian Dynamics, etc) and not ported yet, would be worth to port to GPU or another special hardware that can potentially speedup the calculation.

Links to the projects would be really appreciated.

Thanks in advance

Answer 1

Any physical simulation technique, be it finite difference, finite element, or boundary element, could benefit from a port to GPU. Same for Monte Carlo simulations of financial models. Anything that could use that smoking floating point processing, really.

Answer 2

I am currently working on quantum chemistry application on GPU. as far as I am aware, quantum chemistry is one of most demanding areas, in terms of total cpu time. there has been a number of papers regarding GPU and quantum chemistry, you can research those.

As far as methods, all of them are open source. are you asking about particular program? Then you can look at pyquante or mpqc. for molecular dynamics, look at hoomd. you can also Google QCD on GPU.