All-electron DFT using the FLEUR code
14 Octubre 2020 - 14 Octubre 2020
Online, Italy
Within the zoo of different density functional theory methods frequently employed, the full-potential linearized augmented planewave (FLAPW) method is commonly considered as the approach able to provide the most precise results. Among the flagship codes developed within the MaX centre of excellence(se abrirá en una nueva ventana), the open-source code FLEUR code(se abrirá en una nueva ventana), implementing this method, can provide reference results and can be utilized to study details of the electronic, magnetic, and atomistic structure of complex materials. The code is able to treat bulk and film systems with all elements of the periodic table. Recently, major advances in the scalability, performance and applicability of the code have been achieved and made available in the MaX releases of the code.
On 14th of October 2020 at 11 AM (CEST), the 6th Webinar of a series presenting the most recent developments of the MAX flagship codes entitled "All-electron DFT using the FLEUR code"(se abrirá en una nueva ventana) will be held, featuring the FLEUR code.
Register now!(se abrirá en una nueva ventana)
The webinar will focus on the basic features and fundamentals of the FLEUR code. We will include an overview of the different types of simulations possible with the code, including its interfaces to other methods. The use of FLEUR on modern HPC systems including Tier-0 PRACE systems will also be covered in our presentation. Additionally, we aim at providing hints and instructions useful for deploying FLEUR on different systems, to overcome typical challenges and to identify the requirements for the usage of the code. Finally, we will point at possible further sources of information, documentation and support processes and outline our future plans.
Visit the official webinar page to register and see the exciting agenda(se abrirá en una nueva ventana) prepared for its attendees.
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MaX (MAterials design at the eXascale)(se abrirá en una nueva ventana) is a European Centre of Excellence which enables materials modelling, simulations, discovery and design at the frontiers of the current and future High Performance Computing (HPC), High Throughput Computing (HTC) and data analytics technologies.
www.max-centre.eu I www.linkedin.com/company/max-centre I @max_center2(se abrirá en una nueva ventana)
On 14th of October 2020 at 11 AM (CEST), the 6th Webinar of a series presenting the most recent developments of the MAX flagship codes entitled "All-electron DFT using the FLEUR code"(se abrirá en una nueva ventana) will be held, featuring the FLEUR code.
Register now!(se abrirá en una nueva ventana)
The webinar will focus on the basic features and fundamentals of the FLEUR code. We will include an overview of the different types of simulations possible with the code, including its interfaces to other methods. The use of FLEUR on modern HPC systems including Tier-0 PRACE systems will also be covered in our presentation. Additionally, we aim at providing hints and instructions useful for deploying FLEUR on different systems, to overcome typical challenges and to identify the requirements for the usage of the code. Finally, we will point at possible further sources of information, documentation and support processes and outline our future plans.
Visit the official webinar page to register and see the exciting agenda(se abrirá en una nueva ventana) prepared for its attendees.
------
MaX (MAterials design at the eXascale)(se abrirá en una nueva ventana) is a European Centre of Excellence which enables materials modelling, simulations, discovery and design at the frontiers of the current and future High Performance Computing (HPC), High Throughput Computing (HTC) and data analytics technologies.
www.max-centre.eu I www.linkedin.com/company/max-centre I @max_center2(se abrirá en una nueva ventana)
Palabras clave
High-Performance Computing (HPC), Materials design, materials modelling, materials simulation, High Throughput Computing (HTC), materials science, data analytics, computational algorithms