Industry collaboration – Synective Labs
Molecular dynamics simulations have become a powerful tool for developing new materials and drugs. But the high computational cost and complexity of simulations have been two barriers to the adoption of molecular simulation in industry. Synective Labs has expertise on optimizing algorithms for specific hardware and selecting the optimal (combination of) hardware for the purpose. They have extensive experience of deploying accelerator solutions in industry in Sweden as well as the rest of the world.
We are collaborating with Synective Labs to enable our Gromacs molecular simulation software on FPGA (field-programmable gate array) accelerators. The flexible, advanced algorithms used in Gromacs fit very well to FPGAs. This leads to very high performance on a single machine, as well as very power efficient computing.
A second collaboration is on developing computing appliances. The goal is to develop an appliance that can be plugged in and calculations can ran with as little setup as possible and without the burden of managing a compute cluster or software running on many desktop machines. Researchers in SeRC are working on automating the flow of several types of molecular simulation protocols, as well as automating the parameter setup. Together with Synective Labs, SeRC is working on selecting the optimal hardware for the appliance and targeting potential customers.
Magnus Peterson, firstname.lastname@example.org