Webinar 2018 Using Computational Chemistry software effectively on Graham

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In this webinar we will talk about how to use the computational chemistry software packages effectively on Graham. We will talk about

  • Computational chemistry packages available on Graham
  • The nature and applications of the packages
  • How to to use them on the cluster

We will address several key factors (memory size, cpus, disk file system) which may have big impact on a job, and specific advice for effective use of Gaussian, ADF, etc.