Overview
We are delighted to invite you to participate in the workshop “Computational Methods for 2D materials” that will be held at the premises of University of Burgos in Burgos, Spain from Monday 17th to Thursday 20th of June, 2019.
Are you an undergraduate or graduate student in Chemistry, Physics, Biology or Material Science related areas? The workshop on “Computational Methods for 2D materials” is addressed to you.
Through this event students and researchers will have the opportunity to be specifically trained on innovative technologies such as the:
- Quantum Espresso, a useful DFT based tool for calculations at the nanoscale (brief introduction )
- ORCA, a quantum chemistry program suitable for the study of interactions of molecules with 2D materials and its spectral manifestations (detailed view)
Combined with sessions about computational tools, lectures on 2D materials will be given by leading researchers in this field. The workshop also includes an attractive social programme thought to ease the interaction between participants on a cultural, scientific and leisure basis.
Students will have free registration to the meeting that includes all meals, and will only have to pay for their travel and accommodation. The event is supported by the ICARUS and SOLUTION Consortiums and it will be officially recognized by the University of Burgos under the European Transfer Credit System (number of credits to be approved).
It consists of two independent parts.
- A brief introduction to Quantum Expresso. We will learn how to perform some basic calculations using free available software Quantum Expresso. From compilation tips to get a successful set of executables to instructions to draw useful magnitudes. We will also learn how to built input files for different calculation types. In all cases, hands-on sessions will help to fix and practice the concepts acquired during more theoretical sessions.
- Provide an introduction to Quantum Chemistry using the free available ORCA. Students will learn how to obtain structural and electronic information from different systems and how to gain knowledge about spectroscopic behavior and chemical reactivity of them. Again, hands-on sessions are included in the course.
Due to the limited capacity of the event pre-registration is required.
Registration is now open!