From owner-chemistry@ccl.net Wed Apr 26 13:01:01 2017 From: "Giuseppe Mallia g.mallia_._imperial.ac.uk" To: CCL Subject: CCL:G: CRYSTAL workshops: MW-MSSC17 and MSSC2017 Message-Id: <-52767-170426125513-3106-0gM3Dsa5f7bY7s/Q1yRB7A|*|server.ccl.net> X-Original-From: "Giuseppe Mallia" Date: Wed, 26 Apr 2017 12:55:11 -0400 Sent to CCL by: "Giuseppe Mallia" [g.mallia.^.imperial.ac.uk] ***************************************************************************** ==>MW-MSSC2017 - Minnesota Workshop on ab Initio Modeling in Solid State Chemistry with CRYSTAL http://www.crystal.unito.it/mw-mssc17/ Minneapolis (USA), July 9-14, 2017 ==> 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 ***************************************************************************** Dear Colleagues, the Minnesota Chemical Theory Center and the Theoretical Chemistry Group of the University of Torino announce the ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ MW-MSSC2017 Minnesota Workshop on ab Initio Modeling in Solid State Chemistry with CRYSTAL http://www.crystal.unito.it/mw-mssc17/ ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ to be held in Minneapolis, MN (U.S.A.) from Sunday, July 9th through Friday, July 14 2017. Ab initio modeling has become of ever-increasing interest in solid state chemistry, physics, and materials science. Software for the quantum-mechanical study of a large variety of solid properties (structural, electronic, spectroscopic, thermodynamic, optical, elastic, piezoelectric, etc.) is now widely available to a rapidly growing community of specialists (theoretical and computational chemists and physicists), as well as non-specialists (materials scientists, crystallographers, geologists, solid state physicists and chemists, etc.). The Minneapolis edition of the MSSC2017 School will provide the necessary formal background to understand the main theoretical methodologies and approximations underpinning modern ab initio solid state computational tools and it will also provide practical guidelines for the actual use of standard and advanced features of CRYSTAL. The School will also present the newest version of the program (CRYSTAL17, to be released in 2017) with all of its new features and capabilities. Registration is open, and runs through May 2, 2017. Participation is restricted to 40 attendees, accepted on a first-come, first-served basis. Only few places are available. ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ The list of lecturers, registration details and general information can be found at the official School web site: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ http://www.crystal.unito.it/mw-mssc17/ ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ The programme is now available: http://www.crystal.unito.it/mw-mssc17/program2017.html Looking forward to meet you in Minneapolis. Sincere regards, The MW-MSSC2017 School Directors, Lorenzo Maschio Laura Gagliardi ################################################################# MSSC2017 -Ab initio Modelling in Solid State Chemistry http://www.imperial.ac.uk/mssc2017 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. http://www.imperial.ac.uk/mssc2017/registration/ The workshop programme is available: http://www.imperial.ac.uk/mssc2017/programme/ Deadline for bursary applications: Friday 19th May Deadline for payment of early bird fees: Friday 2nd June Deadline for payment of standard fees: Friday 4th August