Computing for Science

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


Mark JOHNSON

+33 4 76 20 71 39

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Time of Flight data reduction (INX) and analysis
Ab initio molecular dynamics (VASP, ABINIT)
Molecular Dynamics Simulations (Cerius, Materials Studio, nMoldyn...)
Analysis of Molecular Vibrations (CLIMAX, PHONON)
Computing lab (C-lab): offers knowhow, molecular dynamics softwares and clusters to ILL users

Emmanuel FARHI

+33 4 76 20 71 35

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Instrument and experiment simulation (McStas expert)
Molecular dynamics (liquids, powders) using VASP, nMOLDYN
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

Alain FILHOL

+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.
Multimedia:
- neutron encyclopaedia "Exploring matter with neutrons"
- Virtual visit of the ILL
- Movies of instruments and experiments

Ronen GHOSH

+33 4 76 20 71 78

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He retired in 2008

Time of flight data reduction and analysis
General fitting package (FITFUN)
Small Angle Scattering programs
Simple Graphics (PGplot Library at ILL)
Unix/Linux/windows/vms system management and programming
Data Standards, past and present
Collating information on pensions for UK staff at the ILL

Miguel GONZALEZ

+33 4 76 20 71 66

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

Didier RICHARD

+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

Secretary


Brigitte Dubouloz

+33 4 76 20 72 26

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She handles everything !

C-Lab


Mohamed ZBIRI

+33 4 76 20 78 03

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He moved in July 2009 to the TOF/HR group as 2nd responsible for IN6

Lucia CAPOGNA

+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.

Claudia MONDELLI

+33 4 76 20 73 50

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CNR (INFM)

Thesis students


Emanuela PUSCEDDU

+33 4 76 20 75 29

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Thesis student. Simulations and experiments on half-doped manganites

Paolo CALLIGARI

+33 4 76 20 70 32

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He left our group in 2008.

Thesis student. Simulations and experiments on extremophile proteins.

Stefan EIBL

+33 4 76 20 74 08

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Thesis student. Simulations and experiments on fragile molecular glasses

Bachir AOUN

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Thesis student. Simulations and experiments on ionic molecular liquids

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