Our collaborative EU-Japan HPC simulation project on large-scale ab-initio modelling of Tungsten

Atomistic structure of self-interstitial defect in bulk tungsten. Background image from JFRS-1 supercomputer, adapted from source (www.iferc.org)

We are glad to announce that a joint EU-Japan HPC project led by the BSC Fusion Group’s researcher Julio Gutiérrez has been recently granted 350K node-h (14,000,000 core-h). The project will run over one year on the Japan Fusion Reactor Simulator (JFRS-1), located at the Computational Simulation Centre of the International Fusion Energy Research Centre (IFERC-CSC) in Rokkasho (Aomori, Japan).

Read more

Teaching at the UPC’s fusion MSc course

As in its previous editions, our Fusion Group is contributing several lectures to the fusion course imparted within the Nuclear Engineering MSc at UPC. The course gives an overview of plasma physics and fusion technology, presenting a broad scope of topics. The topics are taught by experts in each of the fusion fields covered, with external lecturers mainly provided by Fusion for Energy (F4E) and our Fusion Group at BSC.

Read more

Fusion Group presentation on linear-scaling DFT calculations of Tungsten at ACS Spring 2021

The BSC Fusion Group’s researcher Dr  Julio Gutiérrez presented our recent progress on the FusionCAT project work on “Large-scale ab-initio study of tungsten metal from linear-scaling density functional theory methods” at the American Chemical Society’s (ACS) Division Computers in Chemistry (COMP) Symposium on Materials Science focused on Method Development/Machine Learning/Material Properties (Paper ID 3529923). The presentation took place on April 5 and it is available on-demand between April 19-30 on the conference web platform.

Read more

Our newest contribution to the journal of Fusion Engineering and Design

The final goal of fusion power plants is to produce electricity in the grid. This is planned to be done by heating up water as with fission power plants or thermal power stations. In the case of magnetically confined fusion, neutrons released from the hot fusion plasma escape the magnetic confinement and finish in the wall heating up water. In the case of DEMO (DEMOnstration power plant), the neutron production will be large and the reactor materials have to be neutron-resistant. Thereby, neutronics becomes an increasingly important field of study.

Our recent paper published in the journal of Fusion and Engineering Design entitled Validations of the radiation transport module NEUTRO: a deterministic solver for the neutron transport equation reports on our on-going efforts in this field, carried out in collaboration with the CNEA-CONICET in Buenos Aires (Argentina). It can be accessed for free via this link during the first 50 days after the publication.

Read more

The flexibilities of wavelets for electronic structure calculations in large systems

The video recording and slides from the webinar given by our BigDFT collaborators on the 12th of November 2020, titled “The Flexibilities of Wavelets for Electronic Structure Calculations in Large systems”, is now available on the MaX Centre’s webpage. The webinar presents some of the features made possible by the peculiar properties of Daubechies wavelets, and it focuses on the usage of Density Functional Theory (DFT) for large-scale systems.

Read more

Our Fusion Group’s project on Tungsten modelling by Linear Scaling DFT granted by RES

We are pleased to announce that our group has been awarded a new project at the Spanish Supercomputing Network (RES). RES will provide over 2 million CPU/h for the next 4 months (November 2020 – February 2021), with a likely extension for a second 4-month period (until June 2021) making a total of 4,397,000 CPU/h. We will use the RES top-quality resources in MareNostrum 4, equipped with 165,888 Intel Xeon Platinum 8160 cores, 2.10GHz with Intel Omni-Path.

Read more