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    About MAX

    MAX (MAterials design at the eXascale) is a European Centre of Excellence which enables materials modelling, simulations, discovery and design at the frontiers of the current and future High Performance Computing (HPC), High Throughput Computing (HTC) and data analytics technologies.

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    SOFTWARE

    The software developed by MAX is made available to the whole community in open-source form. In this section you can find our main software output and how to obtain it.
     

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    MAX addresses the challenges of porting, scaling, and optimising material science application codes for the peta- and exascale platforms in order to deliver best code performance and improve users productivity on the upcoming architectures.

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    MAX is committed in supporting data stewardship by adhering to the FAIR-sharing principles. High-quality data is provided both in the format of curated scientific results and raw data, focusing on the tracking of provenance to ensure the full reproducibility of results.

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    MAX develops and offers services and technical support dedicated to the general public and the expert users from both industry and academia.

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    MAX offers integrated training and education in the field of HPC developments and in the computational materials science domain, including workshops and schools, contributions to University courses and training through research in the CoE labs.

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June 12, 2019

Marconi on the path to exascale

Researchers from MaX European Centre of Excellence , Carlo Cavazzoni ( CINECA ) and Andrea Ferretti ( CNR Nano ), explain the role of Marconi and supercomputing in the expansion of knowledge and in code optimization in a brand new article on HPCwire .


June 11, 2019

PRESS RELEASE: The path to materials design and beyond eXascale starts with the launch of MaX European Centre of Excellence (CoE)

December 2018 marks the launch of the European partnership project entitled: MaX - “MAterials design at the eXascale. European Centre of Excellence in materials modelling, simulations, and design ” supported by the European Union’s Horizon 2020 project and funded under the H2020-INFRAEDI-2018 call. MaX sits in prime position, together with another nine ( BioExcel2 , ChEESE , CompBioMed2 , EoCoE-II , EsiWACE2 , E-CAM , EXCELLERAT , HiDALGO , POP-2 ) recently-launched, highly-motivated Centres of Excellence (CoE), operating in the field of High-Performance Computing (HPC), High Throughput Computing (HTC) and High-Performance Data analysis (HPDA).


June 11, 2019

The path to materials design and beyond eXascale starts with the launch of MaX European Centre of Excellence (CoE)

December 2018 marks the launch of the European partnership project entitled: MaX - “MAterials design at the eXascale. European Centre of Excellence in materials modelling, simulations, and design ” supported by the European Union’s Horizon 2020 project and funded under the H2020-INFRAEDI-2018 call. MaX sits in prime position, together with another nine, recently-launched, highly-motivated Centres of Excellence (CoE), operating in the field of High-Performance Computing (HPC), High Throughput Computing (HTC) and High Performance Data analysis (HPDA).


June 11, 2019

Leading MaX in eXascale-ready Scientific Software Development

Andrea Ferretti works for CNR Nano Italy (Consiglio Nazionale delle Ricerche) , co-PI, CNR-NANO Researcher in the field of condensed-matter and solid-state physics, brought his views regarding the role and innovative contribution of CNR Nano Italy to MaX CoE.


June 11, 2019

ICTP – Introduces MaX to the International Scientific Community

Ivan Girotto works at the International Centre for Theoretical Physics (ICTP) as HPC application specialist . Ivan is co-director of numbers of international workshops and advanced schools, co-author of the Master in HPC curricula as well as a lecturer at the on-going program. His main activity at the ICTP remains to conduit and support the worldwide community to efficient research production on platforms for high-performance computing.


June 11, 2019

Open positions @CINECA

Job Opening @HPC Department in CINECA .


June 11, 2019

Lead Towards Transition to eXascale Technologies

Prof. Elisa Molinari , MaX Director at CNR Nano at Modena in Italy, the Coordinator also of the second phase going forward enthusiastically highlights during the recent MaX Kick-off Meeting, 13-14 December 2018, in Modena (IT).


June 11, 2019

MaX: Contributing in Strengthening Europe Towards HPC Application @ 1st CoE Assembly

MaX Centre for Material Design to eXascale will be part of the first FOCUS CoE workshop that will be held in Frankfurt, Germany on the 21st of February 2019 , wherein all the ten (10) new Centres of Excellence (CoEs) for computing applications will be present. This workshop aims to address specific CoE support activities and interaction opportunities across all the Centre of Excellence.


June 11, 2019

A Centre for Molecular Modelling for the development of MaX codes

Prof. Stefaan Cottenier is a professor at the materials science division of the Faculty of Engineering and Architecture of Ghent University and member of the Centre of Molecular Modelling.


June 11, 2019

Tutorial on writing reproducible workflows for computational materials science @EPFL

Tutorial on writing reproducible workflows for computational materials science @EPFLwill be held on 21-24 May 2019 in EPFL.


June 11, 2019

AiiDA: an ecosystem to further develop, execute and share data around the world

AiiDA ( Automated Interactive Infrastructure and Database for Computational Science) is one of the flagship code of H2020 Materials design at the exascale – Centre of Excellence (MaX’s CoE) , 2015 -2018 result, created in partnership with NCCR MARVEL .


June 11, 2019

Postdoctoral Position Openings @CNR Nano

Several postdoctoral position openings at CNR Istituto Nanoscienze , Modena (IT), within the frame of the MaX - MAterials design at the eXascale - Centre of Excellence.


June 11, 2019

Yambo and QE developers meeting. January 14, 2019

Yambo and Quantum Espresso developers will meet at CINECA on January 14, 2019.


June 11, 2019

AiiDA plugins migration workshop @EPFL, 25-29 March 2019

An AiiDA plugin migration workshop will be held at EPFL Lausanne, Switzerland, aiming at collecting about 20 participants. The workshop will start on Monday 25th March at 2PM and end on Friday 29th March at 1PM.


June 10, 2019

EMMC free webinar on Friday, January 18, 2019

A learning opportunity offered by the European Materials Modelling Council (EMMC) , free webinar "Introductions to Standards in Software Development for Beginners" on 18th January 2019.


June 10, 2019

PASC19: deadline for paper submission is approaching!!!

PASC19 is the sixth edition of the PASC Conference series, an international platform for the exchange of competences in scientific computing and computational science, with a strong focus on methods, tools, algorithms, application challenges, and novel techniques and usage of high-performance computing. Deadline for paper submission: 15 January 2019: Second (and final) rolling deadline for new submissions (NO EXTENSIONS!)


June 10, 2019

Quantum ESPRESSO DEVELOPERS’ MEETING 2019

The 2019 Quantum ESPRESSO developers' meeting will be held in SISSA , Trieste, on Jan. 7 and 8 .


June 10, 2019

Stephan Mohr

BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION Department of Computer...


June 10, 2019

Joost VandeVondele

EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH Raemistrasse 101, Zuerich 8092, Switzerland


June 10, 2019

Fabrizio Magugliani

E4 COMPUTER ENGINEERING SP VIA Martiri Della Liberta 66, Scandiano, 42019, Italy


June 10, 2019

Conrad Hillairet

ARM LIMITED, Research Department 110 FULBOURN ROAD, CAMBRIDGE, CB1 9NJ, United Kingdom


June 10, 2019

Ivan Girotto


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MaX - Materials design at the Exascale has received funding from the European High Performance Computing Joint Undertaking and Participating Countries in Project (Czechia, France, Germany, Italy, Slovenia and Spain) under grant agreement no. 101093374.

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