Tag: AiidA

EMMC focussed workshop: “Materials and molecular modelling in the 21st century: Physics-based or data-driven? “

A special feature of the 2018 eSSENCE-Multiscale Modelling Meeting will be the European Materials Modelling Council-supported focussed workshop on “Materials and molecular modelling in the 21st century: Physics-based or data-driven?” which will run as a special theme within this meeting. Researchers

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New materials to rethink the world: prof. N. Marzari explains what new materials are all about

May is full of  public events involving Prof. Nicola Marzari (EPFL – Marvel), one of the principal investigators of MaX Centre of Excellence. Save the dates! May 7  Rome (IT), for a public speech in Teatro Eliseo on quantum simulation,

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EMMC focussed workshop: “Materials and molecular modelling in the 21st century: Physics-based or data-driven? “, 11-13 June 2018 in Uppsala

EMMC focussed workshop: “Materials and molecular modelling in the 21st century: Physics-based or data-driven? “, 11-13 June 2018 in Uppsala (the Ångström Laboratory of Uppsala University). Molecular and materials modelling traditionally uses physics-based models, but currently there is much excitement about

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AiiDA team new work

Read all about the AiiDA team work on “Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds” in Nature Nanotechnology March 2018, Volume 13, Issue 3

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MaX prize awarded at the MaX International Conference in Trieste

Recipients of the MaX Prize for flagship code applications launched last summer have been announced at the MaX Conference ongoing in Trieste. The recipients are: Zeila Zanolli, RWTH Aachen for her research on “Ab initio design of new materials for spintronics applications”,

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MaX prize for flagship codes application

Update: The MaX International Conference will take place in Trieste from 29th to 31st January 2018! We thank all applicants and we will inform all of you about the results in due time for the conference. MaX – Materials at the

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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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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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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 workshop on QUANTUM ESPRESSO, Trieste

Advanced Workshop on High-Performance & High-Throughput Materials Simulations using Quantum ESPRESSO | 16-27 Jan 2017| ICTP, Kastler Lecture Hall (AGH) The goal of the Workshop is to enable participating scientists to combine the most advanced approaches to quantum materials simulation with

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