From: chemistry-request at ccl.net <br />
To: chemistry-request at ccl.net<br />
Date: Sun Jun 12 13:22:01 2011<br />
Subject: 11.09.04 <span class="fancysmall">MSSC2011 - Ab initio Modelling in Solid State Chemistry (Turin edition - September 4-9, 2011)</span><br />

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MSSC2011 - Ab initio Modelling in Solid State Chemistry
Turin Edition (Experienced Users):


Featuring CRYSTAL09 and CRYSCOR

 

         <a href="http://www.crystal.unito.it/mssc2011" target="_blank">http://www.crystal.unito.it/mssc2011</a>

                 Torino, Italy, September 4-9, 2011

                 Directors: R. Dovesi - C. Pisani

 

Its aim is to illustrate the features of the CRYSTAL09
and CRYSCOR09 programs:

CRYSTAL09 main new features include: transition state search,
phonon dispersion, linear and non-linear dielectric
properties through the CPHF/CPKS scheme, automated
calculation of EOS and elastic constants, exploitation of
special symmetry for nanotubes and helices, and more.

CRYSCOR09 is the first publicly distribute code that allows
to compute the MP2 correlation energy of periodic structures.

The school is addressed to all CRYSTAL&#39;s users, senior
researchers and scientists with a good background
in solid state chemistry and physics, who can take advantage
of the two codes for their applications


Memorial Carla Roetti
On September 7th, there will be a day in memory of
Carla Roetti.
Eminent scientists (E. Clementi, F. Illas, ...) will give
a survey on the development of theoretical and
computational chemistry from molecules to solids
and viceversa.


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