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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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    EXASCALE

    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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    DATA

    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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July 23, 2019

Andrea Marini

Lorem ipsum dolor sit amet, consectetur adipisicing elit, sed do eiusmod tempor incididunt ut...


July 23, 2019

Daniele Varsano


July 17, 2019

OPEN POSITION @ ICN2

Research area or group: Theory and Simulation Group Research Career Profile (According to the European Framework for Research Careers): R1 First Stage Researcher Deadline for applications: December 10.


July 16, 2019

OPEN POSITION @ CNR IOM

A post-doctoral and A software engineer position will soon be available at IOM-CNR , Trieste, Italy, funded by the MaX – Materials at the exascale EU Horizon2020 Centre of Excellence. Both positions are fixed-term, initially for one year, renewable for another year.


July 15, 2019

OPEN POSITION @EPFL

Three positions for research software engineers/computational materials scientists are available in the group of Prof. Nicola Marzari at EPFL in Lausanne, Switzerland, under the supervision of Dr Giovanni Pizzi.


July 14, 2019

OPEN POSITIONS @CINECA

Up to three new job positions have opened for working at HPC Department in CINECA .


July 13, 2019

OPEN POSITIONS @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 .


July 12, 2019

OPEN POSITIONS @ICN2

Research Career Profile (According to the European Framework for Research Careers): Post Doctoral researcher The positions are framed within the spirit of the SIESTA-project, with a close collaboration between teams at the ICN2 (Pablo Ordejon, Barcelona), the ICMAB (Alberto García, Barcelona), and CIC nanoGUNE (San Sebastian, in collaboration with Emilio Artacho, in Cambridge).


July 3, 2019

Density-functional perturbation theory: response functions, phonoms and all that. Density-functional perturbation theory goes time-dependent. Computer simulation of thermally activated processes with QUANTUM ESPRESSO

Event: Density-functional perturbation theory: response functions, phonoms and all that. Density-...


July 2, 2019

Vacancy Request


July 1, 2019

Ab initio modelling in solid state chemistry in Crystal Developers

Event: Ab initio modelling in solid-state chemistry in Crystal Developers [ info ] Where: London...


July 1, 2019

Organisation

M A X Structure Director: Elisa Molinari | CNR - Unimore | IT General Assembly The main governing...


June 27, 2019

Training through research in the MaX labs

MaX offers specific training by hosting in its labs' industrial researchers, academic researchers...


June 27, 2019

Open Online courses and videolectures

One of the featured tasks of MaX is to offer to students and researchers a certain amount of online...


June 27, 2019

Training material related to the MaX flagship codes

Here are the training material related to the schools dedicated to the MaX flagship codes: Electronic structure calculations using plane waves Lecture notes and tutorials of QE schools: http://www.quantum-espresso.org/resources/tutorials Lectures from the High-Performance & High-Throughput Materials Simulations using Quantum ESPRESSO and AiiDA - ICTP Trieste (2017) Efficient density-functional calculations with atomic orbitals Lecture notes and tutorials of Siesta schools: https://departments.icmab.es/leem/SIESTA_MATERIAL/Docs/Tutorials/index.html Full Potential Linearized Augmented Plane Wave Method: A DFT all-electron method All electron DFT with Fleur - a Hands-on Tutorial (2021): lecture videos and materials , hands-on material . Lecture notes . Fleur schools: notes and tutorials . Many Body Perturbation Theory A series of video lectures recorded during recent school sessions can be found in the Lhumos platform . Past video lectures can be found in the Yambo YouTube channel . Lecture notes on MBPT, including theoretical background on Quasi particle correction (GW) and absorption spectroscopy (TDDFT and BSE) can be downloaded at: Lectures . A collection of tutorials and hands-on that can be followed at your own pace are found at: Tutorials . For any question and doubt on the usage of the code you can subscribe to the Yambo Forum . AiiDA lecture notes and tutorials All the tutorial materials: https://aiida-tutorials.readthedocs.io/en/latest/ Tutorial on writing reproducible workflows for computational materials science (2019): lectures videos and materials Materials Cloud Learn section: https://www.materialscloud.org/learn/sections


June 27, 2019

Training materials available online!

Useful materials from the AiiDA tutorial on writing reproducible workflows for computational...


June 27, 2019

One day Blender Course @ Modena (IT)

A one day Blender course is being held today, 27 June 2019, in Modena (IT).


June 26, 2019

Data stewardship

Sharing research data needs to go beyond the simple publication of a research paper. Instead, allowing the sharing of full data and metadata compliant with the FAIR requirements is an essential cornerstone of data stewardship.


June 21, 2019

Training and education

M A X offers integrated training and education in the field of HPC developments and in the...


June 20, 2019

List of MaX Deliverables 2023-2026

MaX Management procedures will target the effective implementation of the work plan and the successful completion of MAX deliverables.


June 19, 2019

MaX_Popup Banner_Dec2018

This is the official MaX CoE (Material designs at the eXascale Centre of Excellence).


June 19, 2019

Prof. Nicola Marzari (EPFL) - MaX KO Meeting: Modena, 13-14 December 2018 - 1st Part


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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.

Views and opinions expressed are however those of the author(s) only and do not necessarily reflect those of the European High Performance Computing Joint Undertaking. Neither the European Union nor the granting authority can be held responsible for them.

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