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Computational Chemistry

Computational Chemistry courses and laboratories are an integral part of the Chemistry Undergraduate and Graduate Teaching Curriculum. We provide support for an Undergraduate Computer Lab with 40 workstations, 120+ cores Computation Cluster, and 12 public computers in the Chemistry Library. Chemistry graduate and undergraduate courses have now incorporated more than 15 Computational Chemistry Applications in their curriculum. 

The Department operates around 500 cores of High Performance Computing (HPC) clusters and servers, as well as more than 15 workstations, which are exclusively dedicated to Computational Chemistry Research projects. 

The availability of qualified staff on-site provides for:

  • Support for Advanced Scientific Programming for internally developed scientific codes.
  • Training of new users and support to all uses, for learning new technologies.
  • Assisting researchers in developing and running computational projects. 
  • System Support and maintenance of local HPC hardware and software.