CCL:G: MSSC2019 - Ab initio Modelling in Solid State Chemistry |
- From: "Giuseppe Mallia"
- Subject: CCL:G: MSSC2019 - Ab initio Modelling in Solid State
Chemistry | DEADLINE
- 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
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.
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:
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.