Verified Exascale Computing for Multiscale Applications

The purpose of the VECMA project is to enable a diverse set of multiscale, multiphysics applications — from fusion and advanced materials through climate and migration, to drug discovery and the sharp end of clinical decision making in personalised medicine — to run on current multi-petascale computers and emerging exascale environments with high fidelity such that their output is “actionable”. That is, the calculations and simulations are certifiable as validated (V), verified (V) and equipped with uncertainty quantification (UQ) by tight error bars such that they may be relied upon for making important decisions in all the domains of concern. The central deliverable will be an open source toolkit for multiscale VVUQ based on generic multiscale VV and UQ primitives, to be released in stages over the lifetime of this project, fully tested and evaluated in emerging exascale environments, actively promoted over the lifetime of this project, and made widely available in European HPC centres.

FabSim3 is a Python-based automation toolkit for scientific simulation and data processing workflows. The dev team have decided to make FabSim3 open development from now onwards. You can read about FabSim3 and download it from the respository https://t.co/vkgvmVXHLW

Proud to have Virtual Humans as a finalist in Raw Science Film Festival!!! #RSFF2019

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Check out our new paper on Ensemble-Based Replica Exchange Alchemical Free Energy Methods, openly available https://t.co/7rbsTX8lGV

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