INTERSECT | https://intersect-project.eu Interoperable Material-to-Device simulation box for disruptive electronics Mon, 24 May 2021 11:47:32 +0000 en-GB hourly 1 https://wordpress.org/?v=7.1 “First-principles simulations of materials with SIESTA” Flagship School – June 28 / July 2, 2021 https://intersect-project.eu/first-principles-simulations-of-materials-with-siesta-flagship-school-june-28-july-2-2021/ Mon, 24 May 2021 11:47:24 +0000 https://intersect-project.eu/?p=2437 The online Flagship School “First-principles simulations of materials with SIESTA” will take place from June 28 to July 2, 2021.

The school is aimed at students and researchers from different disciplines who already use, or plan to use, first-principles techniques to simulate properties of matter at the atomic scale. In particular, the school will focus on the SIESTA method. Participants will learn its essential theoretical foundations, and how to use the SIESTA code effectively. Pre- and post-processing tools will also be presented.

The format of the school (completely online) allows for a flexible offering of modules of different levels, from basic to advanced, so that participants can adapt their syllabus. In addition, the material prepared for the school will be integrated into the corpus of SIESTA documentation, which will remain available for continuous learning.

The deadline for applications is the 4th June 2021. The school is organized by our Emanuele Bosoni (ICMAB-CSIC, Spain), Antonio Cammarata (Czech Technical University in Prague, Czech Republic), José Mª Escartín (ICN2, Spain), our intersecters Alberto García (ICMAB-CSIC, Spain), Pablo Ordejón (ICN2, Spain), and Miguel Pruneda (ICN2, Spain), and by Zeila Zanolli (Utrecht University, Netherlands). This school is supported by CECAM and the MaX Centre of Excellence.

Information and registration at https://siesta-project.org/siesta/events/SIESTA_School-2021/.

]]> Introduction to running reproducible workflows with AiiDA – July 06/09, 2021 https://intersect-project.eu/introduction-to-running-reproducible-workflows-with-aiida-july-06-09/ Mon, 19 Apr 2021 14:13:08 +0000 https://intersect-project.eu/?p=2333 The flagship school “Introduction to running reproducible workflows with AiiDA“, organized by Cecam with our partner EPFL, will take place on July 06-09, 2021 at the Vilnius University.

This school will focus on using AiiDA as a tool for HTC: running simulations, retrieving and querying results, and using them for obtaining relationships between computed quantities. Moreover, participants will be taught how to install AiiDA on their laptops or workstations, so that at the end of the tutorial they will be ready to deploy AiiDA and use it for their scientific workflows.

Discussion sessions, as well as a poster session and an open-mic session are scheduled to foster interaction between the participants, discuss and answer possible questions, and highlight important aspects of the methodology of HTC. This tutorial will introduce young researchers to HTC, with hands-on tutorials based on the open-source high-throughput platform AiiDA, whose workflows engine powers our INTERSECT IM2D framework.

More information can be found on https://www.cecam.org/workshop-details/3

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