MSSC2024 - Ab initio Modelling in Solid State Chemistry
Discovering quantum-mechanical simulations with CRYSTAL
London (UK), September 16-20,2024
Directors: S. Casassa - A. Erba - N.M. Harrison - G. Mallia
https://www.imperial.ac.uk/mssc/mssc2024/


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 organising the 2024 MSSC Summer School
on the "ab initio modelling of crystalline and defective solids with the CRYSTAL code".

The workshop is hybrid: both on-line and in-person.

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 systems.
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 consists of lectures in the morning sessions and hand-on tutorials in the afternoon.
https://www.imperial.ac.uk/mssc/mssc2024/programme/

You can register at:
https://www.imperial.ac.uk/mssc/mssc2024/registration/
Friday 10 May - Deadline for payment of early bird fees.