First steps with SIESTA: from zero to hero
SIESTA [1,2] is a multipurpose density-functional code able to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids in fields that range from Geoscience, Biology, Nanoscience, Chemistry or Condensed Matter. It has become very popular worldwide, being used by thousands of researchers in both academia and industry. A very important feature is that its accuracy and cost can be tuned in a wide range, from quick exploratory calculations to highly accurate simulations matching the quality of other approaches, such as plane-wave methods, at a reduced computational cost. However, this flexibility can also represent a challenge for new users of the code, that need to get acquainted with a good number of specific nuts and bolts. The school is aimed at students and researchers from different disciplines in materials science who use, or plan to use, the SIESTA package. The students will learn its essential theoretical foundations, and to how to use the SIESTA code effectively (parallelization and new, more efficient, solvers). Pre- and post-processing tools will also be presented. Advanced features, such as the computation of quantum transport using the non-equilibrium Green’s function approach will be introduced .
Please check the School page on the SIESTA website for updates and further details.
Antonio Cammarata (Czech Technical University in Prague) - Organiser
Nick Papior (Technical University of Denmark) - Organiser
Simona Achilli (University of Milan) - Organiser
Emilio Artacho (Nanogune, Ikerbasque and University of Cambridge) - Organiser
José María Escartín Esteban (Catalan Institute of Nanoscience and Nanotechnology (ICN2)) - Organiser & speaker
Julio Gutierrez (Barcelona Supercomputing Center) - Organiser
Federico Nicolás Pedron (Catalan Institute of Nanoscience and Nanotechnology (ICN2)) - Organiser & speaker
Miguel Pruneda (Institut Catala de Nanociencia I Nanotecnologia (ICN2)) - Organiser & speaker