cropped-Focus_Logo_schwarz_ohne_Untertitel_20190116-1
twitter linkedin 

Newsletter #11 - July 2021

Content

1. Introduction

2. News from the Centres of Excellence

3. Introducing the CoE Flagship Codes

4. Trainings, Webinars, Workshops & Events

1. Introduction

Dear Reader,

In this issue, we are proud to present you CoEC - the Center of Excellence in Combustion. CoEC is focused on the development of simulation methodologies for Exascale computing to assist on the transition towards net-zero greenhouse gas emissions in the power generation and transportation sectors. CoEC researchers are applying high-order methods, dynamic adaptive chemistry, advanced spray and particle models to better understand the requirements of the next generation combustion systems to operate with sustainable fuels and hydrogen.
I hope you enjoy reading this issue!

Daniel Mira
Project Coordinator of CoEC
Barcelona Supercomputing Center

2. News from the Centres of Excellence

bioexcel-logo
The 2021 BioExcel Summer School included lectures and hands-on sessions on topics such as biomolecular docking and free energy calculations. Hear from the participants >> Read More
Cheese_logo
ChEESE teaches module on Urgent Computing for Natural Disasters to ASEAN participants >> Read More


ChEESE Pilot on Physics-Based Tsunami-Earthquake Interaction: Paper on 3D Acoustic-Elastic Coupling with Gravity Accepted for SC21 Conference >> Read more


ChEESE Equality Committee actions presented to partners >> Read more
cnmlcLiO_400x400
CoEC co-organises HPCCOMB2021 >> Read More


Interview with CoEC partner Benedicte Cuenot >> Read More
ecam-300x238
E-CAM Final Report is available >> Read More
ece250
EoCoE Consortium meeting, video recordings available >> Learn more
esiwace250
New ESiWACE newsletter issue 7/2021 released >> Read More
Excellerat_Logo_ELR_V1_20180209-01-300x106
New podcast episode available: How can simulations be applied to make aircrafts more environmentally friendly? >> Listen to it on SoundCloud
Success story: Accelerating engineering codes using reconfigurable architectures >> Read More
Success Story: Enabling High Performance Computing for Industry through a Data Exchange & Workflow Portal >> Read More
Success Story: Bringing industrial end-users to Exascale computing: An industrial level combustion design tool on 128k cores >> Read More
cropped-Focus_Logo_schwarz_ohne_Untertitel_20190116-1
Funding opportunity: Submit your proposal to the second FF4EuroHPC open call to benefit from the use of advanced HPC services >> Read More
CoEs at Teratec Forum 2021 and ISC21 >> Read More
logo-hidalgo
Summary from HiDALGO Plenary Meeting (May 31st to June 2nd) >> Read More
logo-MAX-orizz-300
Recorded presentations available from Aiida Virtual Tutorial >> Watch on YouTube


First-principles simulations of materials with SIESTA CECAM school (28th June - 2nd July 2021) >> Watch on YouTube
Capture
Pilot workflow for personalised COVID-19 modeling >> Read More


PerMedCoE releases new tool COBREXA.jl >> Read More
pop250
POP Collaboration with PerMedCoE achieves a 1.45x Speedup in PhysiCell, one of PerMedCoE Core Applications >> Read More
logo-raise
The virtual Summer school of the IEEE GRSS HDCRS working group on High-Performance and Disruptive Computing in Remote Sensing >> Read More
TREX_LOGO
Towards an open-source platform for high-performance QMC simulations. TREX first 8 months achievements >> Read More

3. Introducing the CoE Flagship Codes

logo-permedcoe
COBRA (Constraint-Based Reconstruction and Analysis) is an ever-evolving computational framework used to reconstruct and analyse models of cell metabolism at genome-scale. At the technical level, the framework relies on the introduction of the linear constraints such as mass conservation and thermodynamics to define the so-called flux space (set of reaction fluxes that are biologically feasible). The flux space associated to a metabolic model can be explored using different approaches, such as optimisation methods (e.g. linear programming) or sampling techniques (Monte Carlo methods), to identify biologically relevant solutions (i.e. phenotypes).


>> Learn More
logo-raise
The multi-physics code m-AIA (formerly called ZFS) is under active development since more than 15 years at the Institute of Aerodynamics (AIA) of RWTH Aachen University. It has been used successfully in various national and EU funded projects for the simulation of engineering flow and noise prediction problems. Individual solvers for multi-phase and turbulent, combusting flows, heat conduction and acoustic wave propagation can be fully coupled and run efficiently on HPC systems. The various methods include finite-volume solvers for, e.g., the Navier-Stokes equations, lattice Boltzmann methods and discontinuous Galerking schemes for the solution of acoustic perturbation equations. Boundary fitted, block structures meshes as well as hierarchical Cartesian meshes can be used. A fully conservative cut-cell method is used for the boundary formulation for immersed bodies, which are also allowed to move freely in the solution domain.


>> Learn More
Want to know more about the CoEs flagship codes, tools and software packages?

>> Discover them all here <<

4. Trainings, Webinars, Workshops & Events

Check out the trainings, webinars, workshops & events below, and visit the CoE Event Calendar for all future events.
bioexcel-logo
18-21 October, 2021:
EMBO Workshop: Advances and Challenges in Biomolecular Simulations
Cheese_logo
25 October, 2021:
BSC-NVIDIA GPU Hackathon for HPC and AI

compbiomed_long_logo
15-17 September, 2021:
CompBioMed Conference 2021
esiways logo_type_grey_left copy
23-27 August, 2021:
Summer School on Effective HPC for Climate and Weather
13-16 September, 2021:
Training on High Performance Data Analytics and Visualisation
Excellerat_Logo_ELR_V1_20180209-01-300x106
17 August, 2021:
Training on Nek5000 at ENCCS
cropped-Focus_Logo_schwarz_ohne_Untertitel_20190116-1
28-29 July, 2021:
NVIDIA “AI for Science” Bootcamp
30 August - 3 September, 2021:
SIMAI Congress
logo-MAX-orizz-300
15-22 September, 2021:
Optimizing Digital Teaching and Communication
NOMAD_Logo_srgb_web_whigh
1-3 November, 2021:
Joint NOMAD - E-CAM Workshop: Modeling materials at realistic space and time scales via optimal exploitation of exascale computers and AI


15-19 November, 2021:
High-throughput workflows for materials science with the Atomic Simulation Environment and Fireworks: Combined Workshop and Hackathon
logo-permedcoe
25-30 July, 2021:
Virtual booth at 29th Conference on Intelligent Systems for Molecular Biology and 20th European Conference on Computational Biology (ISMB/ECCB)
16 September, 2021:
PerMedCoE Webinar Series: Exascale-ready cell-level simulations for European Personalised Medicine
pop png
28 July, 2021:
POP Webinar – Introduction to Paraver
cropped-Focus_Logo_schwarz_ohne_Untertitel_20190116-1
This newsletter is part of the project Focus CoE. Focus CoE has received funding from the European Union’s Horizon 2020 research and innovation programme under the grant agreement Nº 823964.
Unsubscribe | Manage subscription

Höchstleistungsrechenzentrum Stuttgart (HLRS) | Nobelstraße 19
70569 Stuttgart | Germany