The first YoungCAS workshop
The first YoungCAS workshops on Global SCF optimization is held at the Hylleraas centre, 13 - 17 Sep, 2021
It is well-known that energy landscapes for large molecules have astronomically many local minima, corresponding to different molecular structures.
The workshop is devoted to the corresponding problem for the electrons: Do quantum calculations of the electronic ground state in large molecules also have to avoid astronomically many local minima in order to find the global minimum? If so, can one detect when the calculation is trapped in a local minimum? Can one construct a calculation method that always, or under some identifiable conditions, finds the global minimum?
The YoungCAS project Global Optimisation in Electronic Energy Landscapes: Finding a Needle in a Haystack is led by Hylleraas member Erik Tellgren, and will gather young international experts in three separate workshops.