Workshop on Computational Physics and Materials Science: Total Energy and Force Methods

January 8, 2020 to January 10, 2020
Location : University of the Basque Country, San Sebastian, Spain


  • Ivo Souza (University of the Basque Country, San Sebastián, Spain)
  • Ion Errea (University of the Basque Country, San Sebastián, Spain)
  • Aran Garcia-Lekue (DIPC (Donostia International Physics Center), Spain)




Regional Government of the Basque Country

Donostia International Physics Centre


This event is to be the next in the “mini” series associated with the “Total Energy and Forces” workshops, held at ICTP in Trieste every two years. Since 1987 the Trieste workshops have taken place in odd-numbered years, alternating with the mini workshops, held each even-numbered year in a different location. The most recent workshops of the mini series took place in Madrid (2000), Tenerife (2002), Paris (2004), Cambridge (2006), Bonn (2008), Shanghai (2010), Barcelona (2012), Lausanne (2014), Luxembourg (2016), and Cambridge (2018).

The key idea of this series is to offer a smaller scale meeting compared to the large Trieste workshops of around 300 participants. The mini serves to review the state of the art of the field, and to identify interesting new developments and topics. The high quality of the scientific program put forward in this series has been the key for the success of these workshops.

The mini workshops have a typical attendance of 80-100 participants. While this is larger than the typical CECAM workshop, it provides an opportunity to assemble a wide range of leading scientist working on different aspects of computational meterials science. This field, whose community is rapidly growing and its applications are broadening, has a long tradition within CECAM.

The mini series also has a strong vocation to attract students and postdocs. The invited speakers and the attendance of most of the members of the scientific advisory board (who are well-known in the first-principles community) offer an attractive opportunity for early-career scientists to interact with them in the workshop. We have in mind a list of invited speakers that combines young promising researchers with well-established leaders in the field.

Scientific Case

The core areas for the workshop series have traditionally been:

* Theory and methods: Density-functional theory beyond LDA, time-dependent DFT, many-body techniques for real materials, quantum Monte Carlo, ab-initio molecular dynamics, electron-phonon coupling, large scale and multiscale simulations, activated processes, electronic transport, response to external fields, simulations in realistic environments.

* Applications: nanoscience, biochemistry and biomaterials, magnetism and spintronics, superconductivity, geophysics, functional materials, surfaces, spectroscopies, catalysis and electrochemistry, chemical reactions and kinetics, materials design.