From owner-chemistry@ccl.net Thu Aug 1 14:55:01 2019 From: "Giuseppe Mallia g.mallia,,imperial.ac.uk" To: CCL Subject: CCL:G: MSSC2019 - Ab initio Modelling in Solid State Chemistry | DEADLINE Message-Id: <-53809-190801123535-18529-swu5B5bC2s7XTsPc63ndTQ###server.ccl.net> X-Original-From: "Giuseppe Mallia" Date: Thu, 1 Aug 2019 12:35:32 -0400 Sent to CCL by: "Giuseppe Mallia" [g.mallia:-:imperial.ac.uk] MSSC2019++London - Ab initio Modelling in Solid State Chemistry London Edition (New Users) Discovering quantum-mechanical simulations with CRYSTAL http://www.imperial.ac.uk/mssc2019 London (UK), September 16-20, 2019 Directors: S. Casassa - N.M. Harrison - G. Mallia The Department of Chemistry and the Thomas Young Centre at Imperial College London and the Theoretical Chemistry Group of the University of Torino, in collaboration with the Computational Materials Science Group of the Science and Technology Facilities Council (STFC), are organizing the 2019 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 (http://www.crystal.unito.it/features.php) 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 programme is available at the following link: http://www.imperial.ac.uk/mssc2019/programme/ REGISTRATION IS OPEN. Friday 30 August - Deadline for payment of reduced fees If you need an invitation letter for visa application, please proceed with the registration. http://www.imperial.ac.uk/mssc2019/registration/