TB2J: A python package for computing magnetic interaction parameters

ABINIT: Overview and focus on selected capabilities

(2020) Aldo H. Romero et al.   JOURNAL OF CHEMICAL PHYSICS

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

(2020) Nicolas Tancogne-Dejean et al.   JOURNAL OF CHEMICAL PHYSICS

Automated high-throughput Wannierisation

(2020) Valerio Vitale et al.   npj Computational Materials

Review on spintronics: Principles and device applications

(2020) Atsufumi Hirohata et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance

(2020) Sebastiaan P. Huber et al.   Scientific Data

Ab Initio Approaches for Low‐Energy Spin Hamiltonians

(2019) Kira Riedl et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Origin of band gaps in 3d perovskite oxides

(2019) Julien Varignon et al.   Nature Communications

Jx: An open-source software for calculating magnetic interactions based on magnetic force theory

(2019) Hongkee Yoon et al.   COMPUTER PHYSICS COMMUNICATIONS

The Abinitproject: Impact, environment and recent developments

(2019) Xavier Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

The psml format and library for norm-conserving pseudopotential data curation and interoperability

(2018) Alberto García et al.   COMPUTER PHYSICS COMMUNICATIONS

The PseudoDojo : Training and grading a 85 element optimized norm-conserving pseudopotential table

(2018) M.J. van Setten et al.   COMPUTER PHYSICS COMMUNICATIONS

Antiferromagnetic spintronics

(2018) V. Baltz et al.   REVIEWS OF MODERN PHYSICS

Disentanglement via Entanglement: A Unified Method for Wannier Localization

(2018) Anil Damle et al.   MULTISCALE MODELING & SIMULATION

Toward an automated analysis of exchange pathways in spin-coupled systems

(2017) Torben Steenbock et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Spintronics based random access memory: a review

(2017) Sabpreet Bhatti et al.   Materials Today

AiiDA: automated interactive infrastructure and database for computational science

(2016) Giovanni Pizzi et al.   COMPUTATIONAL MATERIALS SCIENCE

Spintronics technology: past, present and future

(2016) J. W. Lu et al.   INTERNATIONAL MATERIALS REVIEWS

Spin and orbital exchange interactions from Dynamical Mean Field Theory

(2016) A. Secchi et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Magnetic interactions in strongly correlated systems: Spin and orbital contributions

(2015) A. Secchi et al.   ANNALS OF PHYSICS

Compressed Representation of Kohn–Sham Orbitals via Selected Columns of the Density Matrix

(2015) Anil Damle et al.   Journal of Chemical Theory and Computation

Magnon spintronics

(2015) A. V. Chumak et al.   Nature Physics

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

(2015) Xavier Andrade et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Biquadratic and ring exchange interactions in orthorhombic perovskite manganites

(2015) Natalya S. Fedorova et al.   PHYSICAL REVIEW B

Calculation of exchange constants of the Heisenberg model in plane-wave-based methods using the Green's function approach

(2015) Dm. M. Korotin et al.   PHYSICAL REVIEW B

Generation of Projector Augmented-Wave atomic data: A 71 element validated table in the XML format

(2014) François Jollet et al.   COMPUTER PHYSICS COMMUNICATIONS

Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems

(2013) Burak Himmetoglu et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Towards the blackbox computation of magnetic exchange coupling parameters in polynuclear transition-metal complexes: Theory, implementation, and application

(2013) Jordan J. Phillips et al.   JOURNAL OF CHEMICAL PHYSICS

Skyrmions on the track

(2013) Albert Fert et al.   Nature Nanotechnology

Exchange parameters and adiabatic magnon energies from spin-spiral calculations

(2013) Adam Jacobsson et al.   PHYSICAL REVIEW B

Interatomic Exchange Interactions for Finite-Temperature Magnetism and Nonequilibrium Spin Dynamics

(2013) A. Szilva et al.   PHYSICAL REVIEW LETTERS

Magnetic properties and energy-mapping analysis

(2012) Hongjun Xiang et al.   DALTON TRANSACTIONS

Noncollinear magnetism and single-ion anisotropy in multiferroic perovskites

(2012) Carlo Weingart et al.   PHYSICAL REVIEW B

Magnetic Dispersion and Anisotropy in MultiferroicBiFeO3

(2012) M. Matsuda et al.   PHYSICAL REVIEW LETTERS

Chiral skyrmions in thin magnetic films: new objects for magnetic storage technologies?

(2011) N S Kiselev et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

(2010) J Enkovaara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Mapping the magnetic exchange interactions from first principles: Anisotropy anomaly and application to Fe, Ni, and Co

(2010) Samir Lounis et al.   PHYSICAL REVIEW B

Physics and Applications of Bismuth Ferrite

(2009) Gustau Catalan et al.   ADVANCED MATERIALS

ABINIT: First-principles approach to material and nanosystem properties

(2009) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

Anisotropic exchange coupling in diluted magnetic semiconductors:Ab initiospin-density functional theory

(2009) H. Ebert et al.   PHYSICAL REVIEW B

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure

(2007) Marc Torrent et al.   COMPUTATIONAL MATERIALS SCIENCE

wannier90: A tool for obtaining maximally-localised Wannier functions

(2007) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS