Outline

The workshop will consist of 6 half-day sessions. Morning sessions will be devoted to lectures. Afternoon sessions will host either hands-on tutorials or the poster session. The poster session will be held the first afternoon, but on-site posters will be displayed and online ones will be accessible on a repository throughout the whole duration of the school.  The second and third afternoon session will accommodate tutorials that will consist of of: i) a 45 minute-long introduction to the method and the software and ii) a 3 h long time slot to complete the tutorial and to allow attendees enough time to get acquainted with the methods at their own pace.

Detailed program

• Day 1: Introduction to Atmospheric New Particle Formation
  • 8:50-9:15 Get together and introduction (Maria L-Darvas, Celine Toubin)
  • 9:15-10:15 Talk 1. (Ilona Riipinen)
  • 10:15-10:30 Coffee break
  • 10:30-11:30 Talk 2. (Bernhard Reischl)
  • 11:30-13:00 Lunch
  • 13:00-14:00 Demonstration 1. (Sara Blichner)
  • 13:00-16:00 Poster session (on-site + online)
• Day 2: Molecular Dynamics
  • 9:15-10:15 Talk 1. (Sylvain Picaud)
  • 10:15-10:30 Coffee break
  • 10:30-11:30 Talk 2. (Maria L.-Darvas)
  • 11:30-13:00 Lunch
  • 13:00-13:45 Introduction to tutorial 1. (Molecular dynamics/metadynamics)
  • 13:45-14:00 Coffee break
  • 14:00-17:00 Tutorial 1. : Metadynamics ( Katerina Karadima, Maria L.-Darvas, C. Toubin)
• Day 3: Ab initio methods and machine learning
  • 9:15-10:15 Talk 1. (Mihaly Kallay)
  • 10:15-10:30 Coffee break
  • 10:30-11:30 Talk 2. (Jonas Elm)
  • 11:30-13:00 Lunch
  • 13:00-13:45 Introduction to tutorial 2. (QMMM)
  • 13:45-14:00 Coffee break
  • 14:00-17:00 Tutorial 2. :QMMM (Antoine Roose, Denis Duflot)