National Computational Infrastructure


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MolSim2014 Downunder

MolSim Downunder is a one-week-long workshop providing a thorough grounding in computational chemistry methods. Courses are taught by international speakers and local experts, integrating oral lectures and practical sessions.

Topics of this edition will cover the fundaments of molecular dynamics and first-principle electronic structure calculations, both representing increasingly important investigation methods in many areas, including biochemistry, geochemistry, solid state chemistry, nanotechnology and materials science.

Specific training will be provided for the use of CRYSTAL, a quantum mechanical ab initio code that implements Hartree-Fock and Density Functional Theory methods for crystals, surfaces, polymers, and molecules (including nanotubes and fullerenes, see main features here; a new version with additional features will be released in December 2013).

This school is aimed to PhD students and researchers moving their first steps into computational chemistry, as well as to all those who would like to receive a specific training in the use of the CRYSTAL package. The courses do not assume any specific knowledge in computational chemistry. However, elementary knowledge in thermodynamics, physics and chemistry is assumed.
Click here to register, registrations close on the 20th January 2014.

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