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CRYSTAL workshops: MW-MSSC17 and MSSC2017 (No replies)

Giuseppe Mallia
1 month ago
Giuseppe Mallia 1 month ago

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==> 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

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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

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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



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Ab initio (from electronic structure) calculation of complex processes in materials