CCL:G: MSSC2017 - Ab initio Modelling in Solid State Chemistry - LAST CALL



 Sent to CCL by: "Giuseppe  Mallia" [g.mallia a imperial.ac.uk]
 This is the last call and if you register before Friday the 8th of September
 you will be added to the reduced fee list.
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 MSSC2017
 Ab initio Modelling in Solid State Chemistry
 Discovering quantum-mechanical simulations with CRYSTAL
 www.imperial.ac.uk/mssc2017
 London Edition (New Users):
 London (UK), 18 - 22 September 2017
 Directors: L. Bernasconi - N.M. Harrison - G. Mallia
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 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 2017 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.
 CRYSTAL is a general-purpose program for the study of periodic solids. It
 uses a local basis set comprised of Gaussian type functions and can be used
 to perform calculations at the Hartree-Fock, density functional or global and
 range-separated hybrid functionals (e.g. B3LYP, HSE06), double hybrid levels
 of theory. Analytical first derivatives with respect to the nuclear
 coordinates and cell parameters and analytical derivatives, up to fourth
 order, with respect to an applied electric field (CPHF/CPKS) are available.
 The list of lecturers, registration details and general information can be
 found at the official School web site (see link above).