<div dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif;font-size:small;color:#3333ff"><br></div><div class="gmail_quote">---------- Forwarded message ----------<br>From: <b class="gmail_sendername">CHARPENTIER Thibault</b> <span dir="ltr"><<a href="mailto:thibault.charpentier@cea.fr">thibault.charpentier@cea.fr</a>></span><br>Date: Sun, Jun 18, 2017 at 1:48 PM<br>Subject: [NMR] International School on "Computation of NMR properties" in CEA Paris-Saclay, November 2017<br>To: "<a href="mailto:nmr@listes.univ-paris-diderot.fr">nmr@listes.univ-paris-diderot.fr</a>" <<a href="mailto:nmr@listes.univ-paris-diderot.fr">nmr@listes.univ-paris-diderot.fr</a>><br><br><br>
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<p><span style="FONT-SIZE:10pt" dir="ltr">Dear Colleagues,</span></p>
<p><span style="FONT-SIZE:10pt" dir="ltr"></span> </p>
<p><span style="FONT-SIZE:10pt" dir="ltr">This is the reminder for the International Winter School "Computation of NMR properties", which will be held from November 13th to 17th 2017 at CEA Paris-Saclay - INSTN.<br>
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This School focuses on the computation of NMR parameters by DFT methods in solids and liquids.<br>
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The following topics will be covered :<br>
- Principles of NMR spectroscopy and formalism (Day 1)<br>
- Simulation of NMR spectra (Day 1)<br>
- DFT method (Day 2)<br>
- DFT-NMR in molecular systems (localized basis-set methods) (Day 2)<br>
- DFT-NMR in solids (GIPAW methods) (Day 3)<br>
- Introduction to molecular dynamics (Day 4)<br>
- Applications (NMR crystallography, quadrupolar nuclei, disordered systems, MRI, glasses) (Day 3-4)</span></p>
<p><span style="FONT-SIZE:10pt" dir="ltr"> - Perspectives (Day 5)<br>
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The school is organized in 5 half-days (morning) of theoretical lectures and 4 half-days of hands-on sessions (afternoon) on computers.</span></p>
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<p> The number of participants is limited to 25.<br>
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Registration is open through the website:<br>
<a href="http://www.mse-chair.org/?event=computation-of-nmr-properties" target="_blank">http://www.mse-chair.org/?<wbr>event=computation-of-nmr-<wbr>properties</a><br>
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Speakers:<br>
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<br>
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Software used:<br>
Quantum Espresso <a href="http://www.quantum-espresso.org/" target="_blank">http://www.quantum-espresso.<wbr>org/</a><br>
ORCA <a href="https://orcaforum.cec.mpg.de/" target="_blank">https://orcaforum.cec.mpg.de/</a><br>
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Contacts:<br>
<a href="mailto:thibault.charpentier@cea.fr" target="_blank">thibault.charpentier@cea.fr</a><br>
<a href="mailto:constantin.meis@cea.fr" target="_blank">constantin.meis@cea.fr</a></p></span>
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<div style="FONT-SIZE:13px;FONT-FAMILY:Tahoma"><tt>------------------------------<wbr>------------
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<font color="#0000ff"><tt>Thibault Charpentier </tt><br>
</font><tt><font color="#0000ff"><em><strong>NIMBE UMR 3685, CEA, CNRS, Université Paris-Saclay,<br>
</strong></em></font></tt></div>
<div style="FONT-SIZE:13px;FONT-FAMILY:Tahoma"><tt><font color="#0000ff"><em><strong>CEA Saclay</strong></em></font></tt></div>
<div style="FONT-SIZE:13px;FONT-FAMILY:Tahoma"><tt>------------------------------<wbr>------------</tt></div>
<div style="FONT-SIZE:13px;FONT-FAMILY:Tahoma"><tt><font color="#008000">Thibault Charpentier<br>
CEA Saclay </font></tt></div>
<div style="FONT-SIZE:13px;FONT-FAMILY:Tahoma"><tt><font color="#008000">DSM/IRAMIS/NIMBE - Bat 125</font></tt></div>
<div style="FONT-SIZE:13px;FONT-FAMILY:Tahoma"><tt><font color="#008000">LSDRM</font></tt></div>
<div style="FONT-SIZE:13px;FONT-FAMILY:Tahoma"><font color="#008000"><tt>91191 Gif-sur-Yvette, France</tt><br>
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<tt>Tél: (33) 1 69 08 23 56 / 82 75 </tt><br>
<tt>Fax: (33) 1 69 08 66 40 </tt><br>
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<tt>Email: <a href="mailto:thibault.charpentier@cea.fr" target="_blank">thibault.charpentier@cea.fr</a> </tt><br>
<tt>Web: <a href="http://iramis.cea.fr/Pisp/112/thibault.charpentier.html" target="_blank">http://iramis.cea.fr/Pisp/112/<wbr>thibault.charpentier.html</a></tt><br>
<tt>ResearchId: <a href="http://www.researcherid.com/rid/A-3557-2010" target="_blank">http://www.researcherid.com/<wbr>rid/A-3557-2010</a></tt><br>
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