Institut Néel and its scientific surroundings: ESRF, ILL, CEA, Minatec

The FDMNES project

Permanent staff : Yves Joly
Former PhD student: Oana Bunau

The last generation of synchrotron and the free electron lasers make possible the recording of data up to now unattainable. The interpretation of these data is of fundamental interest for the understanding of the phenomena in play. It is also of high importance for the description of the characteristics of the analyzed materials.

The aim of the FDMNES project is to supply to the community a user friendly code to simulate x-ray spectroscopies, linked to the real absorption (XANES, XMCD) or resonant scattering (RXD) of the synchrotron radiation. This ab initio approach, wants to eliminate all the methodological parameters. First mainly mono-electronic, using the functionnal density theory (DFT), it includes now multi-electronics advances with the use of the time dependant DFT (TD-DFT) for a better taking into account of the excited states linked to the photon-matter interaction. It includes also the Hubbard correction (LDA+U) for a better description of the so called correlated materials.

Quantum coherence - CQ

Quantum coherence - CQ

Revealing quantum phenomena in electronic nano-circuits
Helium : from fundamental to applications - HELFA

Helium : from fundamental to applications - HELFA

Helium as model system, hydrodynamic and turbulence, space and astrophysics, instrumentation and cryogenic development, kinetic inductance detectors.
Magnetism and Superconductivity - MagSup

Magnetism and Superconductivity - MagSup

Team Magnetism and Superconductivity at Institut NEEL - Systems involving charge, spin or lattice degrees of freedom.
Optics and materials - OPTIMA

Optics and materials - OPTIMA

a complete chain of competences that goes from the design and elaboration of new materials to the study of nonlinear optical properties and plasmonics
Materials, Radiations, Structure - MRS

Materials, Radiations, Structure - MRS

Understanding of the physico-chemical properties of complex materials based on the precise description of their structure
Micro and NanoMagnetism - MNM

Micro and NanoMagnetism - MNM

Complementary expertise in fabrication, characterisation, and simulations for studies in nanomagnetism with applications in spin electronics and micro-systems
Quantum Nano-Electronics and Spectroscopy - QNES

Quantum Nano-Electronics and Spectroscopy - QNES

Electron transport and local spectroscopy of quantum structures
Nano-Optics and Forces - NOF

Nano-Optics and Forces - NOF

Nano - optics and forces
Nanophysics and Semiconductors - NPSC

Nanophysics and Semiconductors - NPSC

Growth of III-V and II-VI semiconductor nanostructures and their physics in search of new functions for potential applications.
Nanospintronics and Molecular Transport - NanoSpin

Nanospintronics and Molecular Transport - NanoSpin

Studying magnetism at the nanoscale, where classical and quantum properties can be combined and used for molecular quantum spintronics
Wide bandgap semiconductors - SC2G

Wide bandgap semiconductors - SC2G

Physics of diamond and other wide bandgap semiconductors towards applications in electronics and biotechnologies
Surfaces, Interfaces and Nanostructures - SIN

Surfaces, Interfaces and Nanostructures - SIN

Experimental and theoretical studies of low dimensional systems
Hybrid Systems at low dimension - HYBRID

Hybrid Systems at low dimension - HYBRID

Electronic, optical, vibrational, mechanical properties, as well as their interplay at the nanoscale, of novel hybrid systems (nanotubes, graphene, two-dimensional and functionalized materials) which are developed by the group .
Condensed Matter Theory -TMC

Condensed Matter Theory -TMC

Novel physical phenomena in materials and model systems.
Thermodynamics and Biophysics of small systems - TPS

Thermodynamics and Biophysics of small systems - TPS

Ultra-sensitive instrumentation for electrical and thermal measurements: from biophysics to low temperature condensed matter physics.
Theory of Quantum Circuits - ThQC

Theory of Quantum Circuits - ThQC

Theoretical studies of electronic transport in nanometer-scale devices showing remarkable quantum effects.
Ultra-low temperatures - UBT

Ultra-low temperatures - UBT

Quantum physics at the ultra-low temperature frontier.

Publications

Team’s papers related to the development or applications of the FDMNES code

Collaborations

Collaborations related to the development or the use of the FDMNES code

Download FDMNES

FDMNES download, code for the simulation of x-ray absorption spectroscopies (XANES, XMCD, RXD, RXS, DAFS, NRIXS)

Theoretical developments

Main theoretical means used in FDMNES to simulate x-ray absorption spectroscopies

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