Sciform wins 20000 EUR in the Arctur HPC Challenge 2018 !!
We are very happy to announce that we won HPC computing resources for 20 000 EUR in the
HPC challenge 2018
for our project "Stochastic Reaction-Diffusion-Flow Systems for
Mesoscopic Medical Device Design and Drug Design".
Thermal and finite-size fluctuations profoundly affect flow, transport and reaction-diffusion processes
on the mesoscopic scale. An accurate description and simulation of these processes including random
fluctuations are essential for nano-/microfluidic device and drug design.
The partial differential equations (PDEs), which describe macroscopic continuum processes,
can be extended by stochastic terms to incorporate thermal and finite-size fluctuations.
The resulting stochastic partial differential equations (SPDEs) are then valid on a scale of
several nanometers. In macroscopic domains, the stochastic terms decrease to zero and allow for
a seamless transition from the mesoscopic to the macroscopic regime.
We developed a novel finite element method for this particular class of SPDEs,
which we implemented for stochastic reaction-diffusion-flow systems in a
highly scalable MPI+GPU parallelized software suite.
These simulations are highly relevant for customers from the nano-/microfluidic device
industry to determine very accurately optimal channel geometries, optimal initial concentrations
of substances, optimal placement of boundary substrates or optimal system parameters dependent
on whether the device is used e.g. for diagnostics or drug development.
The same stochastic reaction-diffusion-flow systems can be also applied to simulate
drug development processes in the pharmaceutical industry.