TOTAL ENERGY AND FORCE METHODS 2020

This workshop is organized within the “Total Energy and Force” conference series, which is held at ICTP in Trieste every odd year, and at a different place every even year. The previous most recent workshops of this "mini" series took place in Barcelona (2012), Lausanne (2014), Luxembourg (2016) and Cambridge (2018).

The main objective of this event is to identify new developments and topics in the field of electronic-structure methods from the first-principles perspective, their diverse applications, and its mathematical foundations. As such, it provides a great opportunity to assemble a wide range of leading scientists working on different aspects of computational material science.

The core areas for the workshop series have traditionally been:

  • Theory and methods: Density-functional theory beyond LDA, time-dependent DFT, manybody 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.