September 28, 2020
Gregor Michalicek
Gregor Michalicek is one of the main developers of the Fleur code at the Forschungszentrum Jülich...
September 28, 2020
All-electron DFT using the FLEUR code
This webinar will introduce the all-electron code FLEUR and its recent enhancements in the context of the MaX CoE. Besides the fundamentals of the theory and the method we will also report on some very large simulation now becoming possible and we will give hints and instructions for efficient usage and deployment of the code.
September 24, 2020
SIESTA Webinar - Highlights and Insights
The 5th webinar of the MaX series on Flagship codes entitled " New developments in SIESTA for high-...
September 24, 2020
Cnr Nano Modena is SUPER!
As an important step forward within the national and international HPC ecosystem, and in strong synergy with the MaX Centre of excellence, CNR-NANO participates in SUPER (Supercomputing Unified Platform - Emilia-Romagna), an Emilia-Romagna POR-FESR 2014-2020 regional funded project.
September 18, 2020
Materials Cloud, a platform for open computational science
L. Talirz, .l Kumbhar, E. Passaro, A. V. Yakutovich, V. Granata, F. Gargiulo, M. Borelli, M. Uhrin...
September 18, 2020
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
S. P. Huber, S. Zoupanos, M. Uhrin, L. Talirz, L. Kahle, R. Häuselmann, D. Gresch, T. Müller, A. V...
September 15, 2020
Material systems for FM-/AFM-coupled skyrmions in Co/Pt-based multilayers
Antiferromagnetically coupled magnetic skyrmions are considered ideal candidates for high-density...
September 9, 2020
Materials Cloud & AiiDA: cornerstones of MARVEL open science strategy, feature in Scientific Data
The latest issue of Nature group’s Scientific Data journal features papers on the Materials Cloud...
September 8, 2020
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
The ever-growing availability of computing power and the sustained development of advanced...
September 8, 2020
Materials Cloud, a platform for open computational science
Materials Cloud is a platform designed to enable open and seamless sharing of resources for...
September 8, 2020
Electrosorption at metal surfaces from first principles
Electrosorption of solvated species at metal electrodes is a most fundamental class of processes in...
September 7, 2020
Vibrational signature of the graphene nanoribbon edge structure from high-resolution electron energy-loss spectroscopy
Bottom-up approaches exploiting on-surface synthesis reactions allow atomic-scale precision in the...
September 4, 2020
MaX in a nutshell
MaX (Materials design at Exascale) is the European HPC Center of Excellence that aims to disenthral...
September 3, 2020
MaX Webinar on SIESTA code
The fifth Webinar of a series presenting the most recent developments of the MaX flagship codes...
September 3, 2020
Nick Papior
Nick Papior is a HPC specialist at the Technical University of Denmark under the DTU Computing...
September 3, 2020
Emilio Artacho
Emilio Artacho leads the Theory group at Nanogune (San Sebastian, Spain) and is Professor in the...
September 3, 2020
Mónica García-Mota
Mónica García-Mota is the Scientific Director at SIMUNE. She designs and supervises the execution...
September 3, 2020
New developments in SIESTA for high-performance materials simulations
This webinar highlighted the performance enhancements and new features recently added to SIESTA within the MaX project, one of its flagship codes. These enhancesments include the use of a finite-support atomic-orbital basis set extended to leading-edge HPC systems by new solver options, and its built-in subsystem for electronic transport (TranSIESTA), which has undergone a major redesign for increased performance and functionality.
September 3, 2020
Pablo Ordejón
Pablo Ordejón is the leader of the Theory and Simulation Group at the Catalan Institute of...
September 3, 2020
Alberto Garcia
Alberto Garcia is a computational scientist at the Institut de Ciència de Materials de Barcelona (...
September 1, 2020
Hydrophobic stabilizer-anchored fully inorganic perovskite quantum dots enhance moisture resistance and photovoltaic performance
J. Kim, S. Cho, F. Dinic, J. Choi, C. Choi, S.M. Jeong, J.S. Lee, O. Voznyy, M.J. Ko, and Y. Kim
September 1, 2020
Strain-Induced Ultrahigh Electron Mobility and Thermoelectric Figure of Merit in Monolayer alpha-Te
J.L. Ma, F.C. Meng, J. He, Y. Jia, and W. Li