From owner-chemistry "-at-" ccl.net Thu Jul 6 14:39:00 2017 From: "Giuseppe Mallia g.mallia.:.imperial.ac.uk" To: CCL Subject: CCL:G: MSSC2017 - Ab initio Modelling in Solid State Chemistry / DEADLINE Message-Id: <-52875-170706121039-20219-RT4871EC6WCohx0qHJ0UNQ . server.ccl.net> X-Original-From: "Giuseppe Mallia" Date: Thu, 6 Jul 2017 12:10:37 -0400 Sent to CCL by: "Giuseppe Mallia" [g.mallia/a\imperial.ac.uk] ################################################################# ==> MSSC2017 - Ab initio Modelling in Solid State Chemistry Discovering quantum-mechanical simulations with CRYSTAL http://www.imperial.ac.uk/mssc2017 London (UK), September 18-22, 2017 ################################################################# MSSC2017 -Ab initio Modelling in Solid State Chemistry London Edition (New Users): London (UK), 18 - 22 September 2017 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 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. Registration is open. If you need an invitation letter for visa application, please proceed with the registration. The list of lecturers, registration details and general information can be found at the official School web site: http://www.imperial.ac.uk/mssc2017 Extended deadline for payment of early bird fees: Friday 14th July Deadline for payment of standard fees: Friday 4th August