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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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MDANSE 2012

Talks

11 file(s).
Johnson Neutrons Simulation M. Johnson: MDANSE - Neutrons and simulations
Kneller Intro MDNeutrons G. Kneller: Combining MD and neutron scattering - Possibilities and pitfalls
Pellegrini MD E. Pellegrini: Basics of Molecular Dynamics
Gonzalez FFs M.A. Gonzalez: Force fields for MD simulations
Kneller Langevin Equation G. Kneller: Langevin equation and its generalization
Kneller Time Series Analysis G. Kneller: Modelling MD trajectories - time series analysis
Gonzalez Data Analysis M.A. Gonzalez: Data analysis in neutron scattering
Aoun n MOLDYN B. Aoun: nMoldyn
Farhi Mc Stas E. Farhi: Virtual experiments with McStas - Inserting MD into simulated instruments
Pellegrini NAMD 01 E. Pellegrini: Setting up and running a MD simulation with VMD and NAMD
Gonzalez DLPOLY M. A. Gonzalez: DL_POLY