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Atomic Simulation Environment Course


From May 29th till May 31st of 2017, the Faculty of Chemistry of the University of Barcelona will host the Atomic Simulation Environment Course.

The course will introduce the basic scientific libraries Numpy, Scipy and Matplotlib, and the functionality offered by ASE like structure optimizations and molecular dynamics, including complex algorithms like global optimization or saddle-point searches. We will be able to automate tasks or even script our own algorithms that call external codes like NWChem or Abinit through ASE’s external calculator interfaces.

 Find all the relevant information and how to register at http://www.iqtc.ub.edu/ase/