CCL:G: CRYSTAL14 events: ISAMS2015 and MSSC2015

 Sent to CCL by: "Giuseppe  Mallia" [gmallia]~[imperial.ac.uk]
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 ==> ISAMS2015
 International School on Ab initio Modelling of Solids 2015
 http://www.crystal.unito.it/isams2015
 Regensburg (Germany), July 19-24, 2015
 ==> MSSC2015 - Ab initio Modelling in Solid State Chemistry
 Discovering quantum-mechanical simulations with CRYSTAL (New Users)
 http://www.imperial.ac.uk/mssc2015
 London (UK), September 14-18, 2015
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 ISAMS2015
 International School on Ab initio Modelling of Solids 2015
 http://www.crystal.unito.it/isams2015
 University of Regensburg, Germany July 19-24, 2015
 Directors: R. Weihrich - B. Civalleri
 The Department of Chemistry of the University of Regensburg, in
 collaboration with the Theoretical Chemistry Group of the University of
 Torino, is organizing an international school on the ab initio
 simulation of solids.
 The aim of the school in Regensburg is to present the new release of the
 CRYSTAL14 and CRYSCOR14 codes. The school is addressed to
 experienced users (PhD students, Post-Docs and researchers) with
 interests in solid state chemistry, physics, materials science, surface
 science and catalysis.
 Registration is open.
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 MSSC2015
 Ab initio Modelling in Solid State Chemistry
 http://www.imperial.ac.uk/mssc2015
 London Edition (New Users):
 London (UK), 14 - 18 September 2015
 Directors: L. Bernasconi - N.M. Harrison - G. Mallia
 The Department of Chemistry and the Thomas Young Centre at Imperial College
 London and the Computational Materials Science Group of the Science and
 Technology Facilities Council (STFC), in collaboration with the Theoretical
 Chemistry Group of the University of Torino, are organizing the 2015 MSSC
 Summer
 School on the "ab initio modelling of crystalline and defective solids with
 the
 CRYSTAL code".
 The week long school is designed for new users of CRYSTAL, PhD students,
 Post-Docs and researchers with interests in solid state chemistry,
 physics, materials science, surface science, catalysis, magnetism
 and nano-science. It will provide an introduction to the capabilities
 of quantum mechanical simulations and to the practical use of CRYSTAL.
 Registration is open.
 Deadline for payment of early bird fees: Friday 12th June
 Deadline for payment of standard fees: Friday 28th August
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 CRYSTAL14
 The latest version of CRYSTAL is available at the Crystal Solutions web site.
 CRYSTAL is a general-purpose program for the study of crystalline solids.
 It computes the electronic structure of periodic systems (3D, 2D, 1D)
 within Hartree Fock, density functional or various hybrid HF/DFT
 approximations.
 The Bloch functions of the periodic systems are expanded as linear
 combinations
 of atom centred Gaussian functions. Powerful screening techniques are used
 to exploit real space locality. Space group symmetry is also fully exploited.
 CRYSTAL14 is a major release and the most relevant new features are:
 - Static first- and second-hyperpolarizability and the corresponding
 electric susceptibilities tensors through a Coupled Perturbed HF/KS scheme
 - Improved phonon dispersion calculation
 (phonon band structure and DOSs, ADPs and Debye-Waller factors, ...)
 - Raman and IR intensities through a CPHF/KS approach
 - Automated calculation of the piezoelectric and photoelastic tensors of
 crystalline systems
 - New DFT functionals: mGGA, Range-separated hybrids and Double-hybrids
 - Automatic generation of fullerene-like structures
 - New tools to model low-dimensionality systems (nanorods, nanoparticles, ...)
 - New tools for the treatment of solid solutions
 - Improved Massive-parallel version (MPPcrystal - distributed memory)
 - Internal interface to CRYSCOR for electronic structure calculations of 1D,-
 2D-
 and 3D-periodic non-conducting systems at the L-MP2 correlated level and
 Double-Hybrids
 - Internal interface to TOPOND for topological analysis of the charge density
 Binaries are available for different platforms.
 For an easier installation on Linux, RPM and DEB packages are now available.
 For further information:
 CRYSTAL web site: www.crystal.unito.it
 Crystal Solutions web site: www.crystalsolutions.eu
 Contacts: info(-)crystalsolutions.eu ; crystal(-)unito.it
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