BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//THOMAS YOUNG CENTRE - ECPv6.15.17//NONSGML v1.0//EN
CALSCALE:GREGORIAN
METHOD:PUBLISH
X-WR-CALNAME:THOMAS YOUNG CENTRE
X-ORIGINAL-URL:https://thomasyoungcentre.org
X-WR-CALDESC:Events for THOMAS YOUNG CENTRE
REFRESH-INTERVAL;VALUE=DURATION:PT1H
X-Robots-Tag:noindex
X-PUBLISHED-TTL:PT1H
BEGIN:VTIMEZONE
TZID:Europe/London
BEGIN:DAYLIGHT
TZOFFSETFROM:+0000
TZOFFSETTO:+0100
TZNAME:BST
DTSTART:20230326T010000
END:DAYLIGHT
BEGIN:STANDARD
TZOFFSETFROM:+0100
TZOFFSETTO:+0000
TZNAME:GMT
DTSTART:20231029T010000
END:STANDARD
BEGIN:DAYLIGHT
TZOFFSETFROM:+0000
TZOFFSETTO:+0100
TZNAME:BST
DTSTART:20240331T010000
END:DAYLIGHT
BEGIN:STANDARD
TZOFFSETFROM:+0100
TZOFFSETTO:+0000
TZNAME:GMT
DTSTART:20241027T010000
END:STANDARD
BEGIN:DAYLIGHT
TZOFFSETFROM:+0000
TZOFFSETTO:+0100
TZNAME:BST
DTSTART:20250330T010000
END:DAYLIGHT
BEGIN:STANDARD
TZOFFSETFROM:+0100
TZOFFSETTO:+0000
TZNAME:GMT
DTSTART:20251026T010000
END:STANDARD
END:VTIMEZONE
BEGIN:VEVENT
DTSTART;TZID=Europe/London:20240916T090000
DTEND;TZID=Europe/London:20240920T183000
DTSTAMP:20260409T183142
CREATED:20240523T160012Z
LAST-MODIFIED:20240523T160016Z
UID:5317-1726477200-1726857000@thomasyoungcentre.org
SUMMARY:MSSC - Ab initio Modelling in Solid State Chemistry
DESCRIPTION:Morning sessions – Lecture Theatre 1\, Bush House\, Strand Campus\, King’s College LondonAfternoon sessions – Department of Chemistry\, South Kensington Campus\, London SW7 2AZ \n\n\n\n\n\n\n\n\n\n\nMSSC – Ab initio Modelling in Solid State Chemistry Share on X\n\n\n\n\nThe 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 2024 MSSC Summer School on the “ab initio modelling of crystalline and defective solids with the CRYSTAL code”. \n\n\n\nCRYSTAL 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. \n\n\n\nThe structure\, thermodynamics\, vibrational states and a wide range of properties can be computed for crystals\, surfaces\, polymers and molecules. In addition to its long standing use in solid state chemistry and condensed matter physics CRYSTAL is also used by a rapidly growing community of non-specialized users (material scientists\, crystallographers\, geologists\, …). \n\n\n\nThe School is addressed to PhD students\, Post-Docs and researchers with interests in solid state chemistry\, physics\, materials science\, surface science and catalysis. It provides an overview of the possibilities offered by ab initio quantum mechanical techniques adopted in CRYSTAL when applied to the characterization of crystalline materials. \n\n\n\nThe school provides an overview of the underlying theory and fundamental issues affecting use of the code\, with particular emphasis on practical issues in obtaining reliable data efficiently using modern computer hardware. \n\n\n\nThe capabilities of CRYSTAL will be illustrated\, with hands-on tutorials organized in the afternoon sessions. \n\n\n\nThere will be lectures in the morning sessions and hand-on tutorials in the afternoon ones. The poster session will be on Wednesday afternoon. \n\n\n\nDuring the workshop\, you will have the opportunity to interact with the code developersin a friendly and informal atmosphere. \n\n\n\nhttps://www.imperial.ac.uk/mssc/mssc2024/about \n\n\n\nDirectors\n\n\n\n\nS. Casassa\, Università di Torino (Italy)\n\n\n\nA. Erba\, Università di Torino (Italy)\n\n\n\nN. M. Harrison\, Imperial College London (UK)\n\n\n\nG. Mallia\, Imperial College London (UK)\n\n\n\n\nScientific Committee\n\n\n\n\nB. Civalleri\, Università di Torino (Italy)\n\n\n\nF. Corà\, University College London (UK)\n\n\n\nL. Maschio\, Università di Torino (Italy)\n\n\n\n\nTechnical Support\n\n\n\n\nSean M Conner\, Digital Media & Communications Office\, Imperial College London (UK)\n\n\n\n\nAcknowledgments\n\n\n\nThe MSSC2024 organising committee would like to acknowledge the in-kind support of:
URL:https://thomasyoungcentre.org/event/mssc-ab-initio-modelling-in-solid-state-chemistry/
CATEGORIES:Main event
END:VEVENT
END:VCALENDAR