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The Computing for Science (CS) group supports ILL scientists, students and visitors in a number of activities including data analysis, instrument simulation and sample simulation.

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Computing for Science group people

Group leader
Emmanuel FARHI

+33 4 76 20 71 35

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Instrument and experiment simulation (McStas expert)
Molecular dynamics (liquids, powders) using VASP, MDANSE
Three-axis spectrometry and data analysis (MFit, SSym)
TeX, Matlab and Mac-Linux or Linux-Mac
IDL2Matlab, an IDL to Matlab translator allowing IDL routine to be incorporated and executed in Matlab programs
LookTxt, a data parser for searching and exporting numerics from any text/ascii file


+33 4 76 20 71 56

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Data analysis: Filing/Pkfit (TAS), iFitIt (Polarized neutrons), etc.
Tools: vTAS (TAS instrument simulator), NeutronCalc, Diffraction, etc.
- neutron encyclopaedia "Exploring matter with neutrons"
- Virtual visit of the ILL
- Movies of instruments and experiments

- Neutrons4Science for tablets and smartphones (iOS or Android)


+33 4 76 20 71 66

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Molecular dynamics simulations
Instrument simulations
Backscattering and SANS data analysis
Molecular liquids and glasses 

Eric Pellegrini

+33 4 76 20 71 98

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Biomolecular Dynamics Simulation


+33 4 76 20 73 07

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The LAMP application data manipulation and analysis for DIF, SANS, TOF and modelling
Interactive experiment control - The G.E.O.R.G.E. application
BARNS WWW Internet application server for ILL data treatment
ILL software compatibility with external NeXus data format
Data visualisation using IDL for e.g. image plate data, tomography, multi-parameter powder-diffraction diagrams

Brigitte Dubouloz

+33 4 76 20 72 26

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She handles everything !


+33 4 76 20 79 60

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CNR (INFM). Ab initio simulations of phonon properties of crystalline solids. Determination of magnetic structures.


Retired or in another ILL group
    Ronen GHOSH, He retired in 2008, Time of flight data reduction and analysis, General fitting package (FITFUN), Small Angle Scattering programs
    Mohammed SBIRI, ILL, he moved to the TOF/HR group.
    Claudia MONDELLI, CNR (INFM), she moved to the TOF/HR group.
    Ricardo Ferraz-Leal, SNS ,<ferrazlealrm(at)ornl.gov>
    Mark Johnson, ILL, now Assistant Director

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