86 datasets found

We show that hematite, 𝛼-Fe₂O₃, below its Morin transition, has a ferroic ordering of rank-5 magnetic triakontadipoles on the Fe ions. In the absence of spin-orbit coupling,...

We present SIESTA-BdG, an implementation of the simultaneous solution of the Bogoliubov-de Gennes (BdG) and Density Functional Theory (DFT) problem in SIESTA, a first-principles...

Using first-principles techniques, we study the structural, magnetic, and electronic properties of (111)-oriented (LaMnO₃)₂ₙ|(SrMnO₃)ₙ superlattices of varying thickness...

Dynamical perturbations modify the states of classical systems in surprising ways and give rise to important applications in science and technology. For example, Floquet...

We present ab initio calculations of hidden magnetoelectric multipolar order in Cr₂O₃ and its iron-based analogue, α-Fe₂O₃. We show the presence of hidden...

Ideal magnetic frustration forms the basis for the emergence of exotic quantum spin states that are entirely nonmagnetic. Such singlet spin states are the defining feature of...

Harnessing the most advanced capabilities of quantum technologies will require the ability to control macroscopic quantum states of matter. Quantum magnetic materials provide a...

First-principles calculations of phonons are often based on the adiabatic approximation and on Brillouin-zone samplings that might not always be sufficient to capture the...

First-principles calculations of phonons are often based on the adiabatic approximation and on Brillouin-zone samplings that might not always be sufficient to capture the...

This is the final report on the integration of services. The main focus is on the integration activities of the Collaborative Data Infrastructure (CDI) Operation and...

This deliverable includes the final report about the integration of data services with computing platforms, the integration of PID Graph resources in B2FIND, the implementation...

The document is the final report on the activities that were carried out during the project to steer the DICE users’ engagement according to the communication and dissemination...

This deliverable describes the use cases integration of the platforms selected, and validation of the implementation work, with a consideration of their impact so far.

This deliverable includes the pilot use cases for the integration of data services with computing platforms of T4.1 the integration of the integrity check for PIDs of T4.2 the...

The document is the final report on the activities that were carried out during the project in the area of training. It includes reporting on the events (hackathons and...

First-principles calculations of phonons are often based on the adiabatic approximation, and Brillouin-zone samplings that might not always be sufficient to capture the...

Nonlinear interactions between excitons strongly coupled to light are key for accessing quantum many-body phenomena in polariton systems. Atomically-thin two-dimensional...

This document contains technical documentation related to the installation and usage of a number of container technologies used for HPC applications. It also demonstrates how...

This deliverable describes the outcome of Task 3.1 - Enlarging the SMEs awareness of HPC. The task aimed to support SMEs and bring them closer to the HPC opportunities,...

The aim of this deliverable is to provide indications about how to use container to improve portability of applications on HPC systems. Important steps to run a containerized...