Program

Day 1:

  • 12:00 Welcome, thanks for coming! (Miha)
  • Introduction to Transition State Theory, what is a PES, and why saddle points? (Alejandro Pena Torres)
  • NEB and Dimer within scope of ML; what to watch out for, and lessons already learned (Rohit Goswami)
  • The ARTn algorithm (Matic Poberznik)
  • 14:30 coffee break and posters (1h)
  • The various engine interfaces to pARTn: details (Nicolas Salles)
  • pARTn source code details & overview of possible work projects/problems (Miha)
  • Installation party: It's a pARTy! Let's compile pARTn together! (Miha)

Day 2:

  • 9:30 Overview of possible work projects; have any new ideas turned up since yesterday?
  • Decide how to split into workgroups, define workload
  • hack hack
  • 12:00 lunch
  • hack hack hack

Day 3:

  • 9:30 10min morning update
  • hack hack
  • 12:00 lunch
  • hack hack hack
  • round table: update from groups, and how/when/where to continue?