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MaX project deliverables

The page lists 38 deliverables related to the research project "MaX".

 List of Deliverables

MaX: list of downloadable deliverables.
title and desprition type last update

Report on the industrial outreach activities and CoE services, months 16-30

Report about the service and industrial outreach activities organized by MaX, including data on the access of users to the services and the attendance to outreach activities, for months 16-36.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-30

Second release (R2) of MaX codes

Second MaX release of the four flagship codes, including implementations/features from group R2.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Other 2019-07-30

Repository advertisement and dissemination of results

Advertisement of the open web repository released under D3.5 and dissemination of its
stored data and results in conferences, tutorials, workshops.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-30

Release of a web open repository of data, workflows and turn-key solutions

Public release of a web repository containing data, AiiDA workflows, turn-key solutions
and protocols as generated and designed by MaX activities.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Websites, patent fillings, videos etc. 2019-07-30

Release of a computational protocol for tribochemistry

Release of a computational protocol to simulate tribochemical properties based on first-principles approaches.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-30

Second report on CoE infrastructure and service

Second report on the operation of MaX infrastructure and service provisioning, and on Key Performance Indicators.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-30

Material science at exascale: software implementationaterial science at exascale: imp

Extended implementation of programming models, libraries, best practises in data management and energy efficiency which are key for MaX materials science codes in order to reach the exascale.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Other 2019-07-30

Business plan assessment and revision

Updated business plan, including exploitation strategy and market report.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-30

Second report on IAB operation

Second report on the operation of the International Advisory Board and the Industrial Advisory Group.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-30

Release of a computational protocol to simulate optical colour properties

Release of a multiscale protocol to simulate the colour optical properties of complex anthocyanins in solution.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-30

Third and final release (R3) of MaX codes

Third and final MaX release of the four flagship codes, including implementations/features from group R3.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Other 2019-07-30

Second report on dissemination and final MaX workshop

Report on MaX dissemination activities for months 19-36, and on the final MaX workshop and Conference.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-30

Release of the PALENQUE code

Generalised properties interface, and library interface to PALENQUE, packaged and released.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Other 2019-07-30

Second report on training courses/workshops

Report (months 19-36) on the education and training activities, including data on users participation and involvement.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-30

Release of a computational protocol for molten salts properties

Release of a computational protocol to simulate the thermal properties of molten salts containing dispersed nanoparticles.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-30

Project website and graphical identity material

Setup of the main website and portal of the Max CoE. Identity and advertisment material ready (short and long descriptions of the CoE, presentation slides, etc).

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Websites, patent fillings, videos etc. 2019-07-25

Socket-interfaced demonstration of code PALENQUE

Socket-interfaced “universal force engine” demonstration of PALENQUE.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Demonstrators, pilots, prototypes 2019-07-25

Draft business plan: preliminary exploitation strategy and market report

Updated draft of the business plan, including preliminary exploitation strategy and market report.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

Setup of the CoE services, including a dedicated space in the CoE portal

Report on the setup of the services that the CoE will offer to its users, grouped and accessible through a CoE portal, ranging from software basic support to materials science consulting and software custom development.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

First release (R1) of MaX codes

First MaX release of the four flagship codes, including implementations/features from group R1

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Other 2019-07-25

Report on the industrial outreach activities and CoE services, months 1-15

Mid-term report about the service and industrial outreach activities organized by MaX, including data on the access of users to the services and the attendance to outreach activities.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

Release of a documented protocol for data sharing

Define and release a standardised format and protocol for sharing data and workflows, that is documented and can be implemented also in other simulation platforms beside AiiDA.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

Updated data management plan

Update on the MaX policy and guidelines about storing and safeguarding data produced by the MaX suite of codes.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

Setup of a second CoE website dedicated to industrial users

Development of a secondary, customer-oriented, website, designed specifically for reaching the target end-users. The site will link to the main website whenever possible, but also host a set of more industry and marketing-oriented materials.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Websites, patent fillings, videos etc. 2019-07-25

Data management plan

Plan for the storage, and safeguarde for future reference, of the data produced from simulations. Guidelines about the files to preserve for each of the MaX codes.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Open Research Data Pilot 2019-07-25

Identification of problems and strategies in material science towards exascale

Report on common problems and strategies towards exascale in the domain of materials science simulations, as based on the MaX suite of codes.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

First report on training courses/workshops

Report (months 1-18) on the education and training activities, including data on users participation and involvement.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

Release of a turn-key solution to automatically transform crystallographic database structures

Release of a turn-key solution to automatically transform crystallographic database structures into a first-principles relaxation and MD simulation, with automatic storage and analysis of the data, for the optimal design of Li-ion conductors.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

Webpage with education resources from MaX

Development of a specific section of the CoE portal dedicated to Education and Training, allowing users access to the available offer and learning materials.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

First report on dissemination

Report on dissemination activities for months 1 to 18, and on the first MaX workshop.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

Definition of a software-development plan

Definition of a software-development plan, addressing the organisation of the new features foreseen in the MAX work-plan into three groups, to be implemented in the three major releases (R1, R2, R3).

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

First Report on specific community needs and challenges

First Report on the needs and challenges of the users from the materials science community, as seen from the dedicated observatory setup by WP2.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

Development of the AiiDA plugins for the flagship codes

Development of the AiiDA plugins for the four MaX flagship codes, in order to enable the AiiDA software to handle calculations based on the MaX suite of codes.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Other 2019-07-25

Development of the Education and Training Programme and publication on the webpage

Structured plan of the MaX offer on education and training services, aimed at bridging the gap between HPC development and computational materials science.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

Implementation of new paradigms and common strategies: Proof of concept

Proof of concept implementation of new scaling paradigms and common strategies towards exascaling in the material science codes selected by MaX.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Demonstrators, pilots, prototypes 2019-07-25

First report on IAB operation and KPI

First report on the operation of the International Advisory Board and the Industrial Advisory Group, and on Key Performance Indicators.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

First report on setup of CoE governing bodies, infrastructure, KPI defs, IPR implementation

First report on the composition of CoE governing bodies, the infrastructure and service provisioning, the definition of Key Performance Indicators, and the implementation policy concerning Intellectual Property.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-07-25

Final Report on specific community needs and challenges

Final Report on the needs and challenges of the users from the materials science community, including validation of the protocols defined through the Pilot Cases.

Programme: H2020-EU.1.4.1.3. - Topic(s): EINFRA-5-2015

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Documents, reports 2019-08-01