National Computational Infrastructure


Monthly Archives: November 2013

  • NCMAS deliberations underway
  • MolSim2014 Downunder

    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 ... Read More

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