Edouard Audit - CEA - Maison de la Simulation
EoCoE : Fostering the energy transition using HPC

Gianluca Palermo - Politecnico di Milano
Exscalate4CoV: Towards an exascale-ready docking platform targeting urgent computing

Thursday July 9 2020

Edouard Audit

Edouard Audit is the coordinator of the EocoE center of excellence. He got a PhD in numerical astrophysics from the university of Paris 7. After 15 years in computational (astro)physics, he became the founding director of Maison de la Simulation.

EoCoE : Fostering the energy transition using HPC

At the cross-road of the energy and digital revolutions, EoCoE develops and applies cutting-edge computational methods in its mission to accelerate the transition to the production, storage and management of clean, decarbonized energy. I will present the main technical challenge that EoCoE is addressing on its path to Exascale and show there impact on energy relevant simulations.

Gianluca Palermo

He is currently an Associate Professor with tenure at Politecnico di Milano, Department of Electronics, Information and Bioengineering. Previously he was consultant engineer in the Low Power Design Group of AST – STMicroelectronics (Agrate, Italy) working on network on-chip and research assistant at the Advanced Learning and Research Institute (ALaRI) of the Universita’ della Svizzera Italiana (Lugano, Switzerland). His research interests include design methodologies and architectures for Embedded and High Performance Computing systems, focusing on multi/many-cores architectures, application autotuning, and extreme-scale molecular docking methods. Currently, he is the Principal Scientist for the PoliMi research unit within the Exscalate4CoV project.

Exscalate4CoV: Towards an exascale-ready docking platform targeting urgent computing

Exscalate4CoV is a public-private consortium supported by the European Commission’s Horizon 2020 tender for projects to counter the Coronavirus pandemic and improve the management and care of patients. The aim of the project is twofold, identify molecules capable of targeting the coronavirus (2019-nCoV) and develop a tool effective for countering future pandemics to be consolidated over time. The Excalate4CoV consortium, coordinated by Dompé Farmaceutici, is composed of 18 institutions from seven European countries and can count on the top European Supercomputers.

At the core of the project, there is Exscalate (EXaSCale smArt pLatform Against paThogEns) a drug-discovery platform that includes a "chemical library" of several hundred billions of molecules and a processing capacity in the order of million molecules per second. Exscalate is a Dompè platform, developed thanks to a collaboration between Dompè, Cineca, and Politecnico di Milano. The platform, that has already been used in the study of the Zika virus, has been developed in the context of the Antarex project.

Q & A