Tag: MaX

Synergy between quantum computing and high-performance computing

In this workshop we propose to bring together the quantum information community and the HPC community to discuss their specific expertise and to outline the bridges that will eventually identify: (1) the future role of quantum technologies in scientific fields

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MaX prize for flagship codes application

MaX – Materials at the Exascale aims at enabling advancements in materials research via high-performance and high-throughput computing towards the exascale. Its activities are largely centred on frontier developments and applications of four MaX flagship codes, Quantum ESPRESSO, SIESTA, Fleur,

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Computational Discovery in the 21st Century

Prof.  Nicola Marzari, leader of WP3 at MaX, gave a public talk at PASC 17 about “Computational Discovery in the 21st Century”. Inside HPC web page (here) presents the talk in which Prof. Marzari offered an interesting overview of computational materials

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Electronic Structure Library Coding Workshop: Drivers

Electronic structure methods are mostly developed in self contained monolithic software distributions implementing a variety of features that have been developed over the last few decades. Currently most of these large codes contain routines with overlapping functionality and make use

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A Report of the past MARVEL_NCCR MaX CoE Psi-K tutorial on high-throughput using AiiDA

A scientific report of the past MARVEL_NCCR MaX CoE Psi-K tutorial on high-throughput using AiiDA (EPFL, Lausanne, Switzerland, 29-31 May 2017) has been published on the Psi-K website. The aim of the tutorial was to introduce young researchers and more experienced practitioners to

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MaX is at the European Open Science Cloud Summit, Brussels

A summit on European Open Science Cloud is ongoing in Brussels, today June 12, to discuss on this “new republic of letters” (Commisioner C. Moedas). It will be Europe’s moment of commitment to the EOSC and it will generate a number

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MARVEL/Psi-k/MaX “Tutorial on high-throughput computations: general methods and applications using AiiDA”

Second edition of the MARVEL/Psi-k/MaX “Tutorial on high-throughput computations: general methods and applications using AiiDA” @ EPFL (Lausanne, Switzerland) for students, postdocs and researchers interested in applying high-throughput computations in their research and interested in learning how to use the AiiDA

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MaX Siesta School starts today in BSC

A BSC-MaX co-organized School on the flagship code SIESTA is taking place in Barcelona from May 23 to 26, 2017.  The school is aimed at students and researchers from different disciplines who already use, or plan to use, SIESTA in

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SIESTA school by the European Centre of Excellence MaX

Target group: The school is aimed at students and researchers from different disciplines who already use, or plan to use, SIESTA in their work and who would like to understand its essential foundations and to learn how to apply the

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All electron DFT with FLEUR – a Hands-on Tutorial

The density-functional theory (DFT) in its various incarnation provides the most practical framework to compute basic electronic, magnetic, and structural properties of materials. Large scale materials screening using DFT is believed to be a key factor in future materials development.

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