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International Winter School "Computation of ... (No replies)
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On behalf of the organizing committee, it is my pleasure to announce the International Winter School
"Computation of NMR properties"
http://www.mse-chair.org/
which will be held from November 13th to 17th 2017 at CEA Paris-Saclay - INSTN
This School focuses on the computation of NMR parameters by DFT methods and applications in solids and liquids.
The following topics will be covered :
- Principles of NMR spectroscopy and formalism
- Simulation of NMR spectra
- DFT method
- DFT-NMR in molecular systems (localized basis-set methods)
- DFT-NMR in solids (GIPAW methods)
- Introduction to molecular dynamics
- Applications (NMR crystallography, quadrupolar nuclei, disordered systems, MRI, glasses)
The school is organized in 5 half-days (morning) of theoretical lectures and 4 half-days of hands-on sessions (afternoon).
Registration is open through the website:
http://www.mse-chair.org/?event=computation-of-nmr-properties
Speakers:
M.H. Levitt, N. Giraud, J.N. Dumez, J.D. Gale, A. Auer, A.P. Seitsonen, C. Martineau, F. Fayon, M. Salanne, J.V. Hanna, R. Pollet and T. Charpentier
Software:
Quantum Espresso http://www.quantum-espresso.org/
ORCA https://orcaforum.cec.mpg.de/
Contacts:
[email protected]
[email protected]
Thibault Charpentier
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Thibault Charpentier
NIMBE UMR 3685, CEA, CNRS, Université Paris-Saclay, CEA Saclay
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