Complex quantum molecular simulations of unprecedented speed and accuracy
Computers and the rapid mathematical calculations they are able to perform, which would take human beings years to accomplish, have provided the fuel to power innovation. High-performance computing (HPC) and high-throughput computing (HTC) have enabled us to simulate large-scale complex processes and analyse tremendous amounts of data, benefitting applications ranging from climate research and drug discovery to material design. Emerging exascale computers will make the best even better, 50 times faster than today's most powerful supercomputers. The EU-funded TREX project is developing a platform that combines the upcoming exascale HPC and HTC architectures for stochastic quantum chemical simulations of unprecedented accuracy. The software and services will be designed for ease of use to ensure widespread utilisation, spurring a new age of discovery in molecular simulations.
Call for proposal
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Funding SchemeRIA - Research and Innovation action
845 11 Bratislava