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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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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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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Advanced computing of excited state properties in solids and nanostructures with Yambo

Characterization and engineering of advanced materials and nanostructures often require an accurate description of their excited state properties. This school will provide a balanced training both in the fundamental theory of electronic and optical excitations as well as practical strategies

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SIESTA school by the European Centre of Excellence MaX

Save the date: from May 23 to 27, 2017 in Barcelona Supercomputing Centre a seminal four-day hands-on tutorial on the use of the SIESTA code will take place, organized within the European Centre of Excellence MaX. The SIESTA school will be addressed to students and

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Welcome to the MaX newsletter

The lively world of MaX is now available at a glance: the new MaX newsletter has been issued and is available here. In this zero issue news about MaX’s user portal; Quantum Espresso simulation of natural food colours; Siesta news and much

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SIESTA goes open source

Following the agreement of moving the code under a new fully Open source compliant license (GA, IPR section), the SIESTA developers took the action to change the licensing conditions for the code. Starting from summer 2016, the MaX flagship code

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Improving towards green computation: QuantumESPRESSO scaling on the new MARCONI-KNL partition

New tests on parallel scaling performance of QuantumESPRESSO –in particular the CP kernel— are now available, thanks to the MARCONI Tier-0 system recently established at CINECA and based on the Lenovo NeXtScale platform. The HPC cluster, co-designed by CINECA, was

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Developer workshop on new programming paradigms

Developer workshop on new programming paradigms: addressing the memory hierarchy challenge. The concept would be to use work that has been done during the MaX developments as base for  examples in the context of materials science codes, presenting also lessons learned and

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