ACIT: Actions

De Workshops
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  • Regular interactive workshops gathering developers in conceptual models and interpretative methods of all classes
  • Regular conferences involving also chemists interested by using conceptual models and interpretative methods
  • Regular Tutorial schools on different classes of conceptual models and interpretative methods
  • Create an "advanced institute" where people can come and interact for longer periods.
  • Create and maintain An interactive wiki web-site, including :
    • On-line tutorials involving introductory and more advance theoretical material, on-line computer exercices.
    • Short texts (wiki pages ?) clarifying for each class and sub-class of methods, for all outsiders of these sub-communities :
      • what are the basic underlying concepts,
      • what it can and cannot do,
    • Wiki-like approach that will allow people to rapidly enter the field, and update their knowledge.
  • Prizes and awards
    • What for ? Is it really relevant for a small community ?…
    • Where is the money coming from? Who needs such an encouragement?
  • Favor the developments of fast and easy-to-use programs, interfaced to commonly used packages.
  • Develop the interactions with “real chemists” who are the people who need these concepts :
    • What can we organise to enhance this interaction?
    • Should we create a data base that can be searched?


  • How do we stay to machine learning?
    • A priori, it gives no insight. But can it not be that it provides a source for which we can develop tools that give insight?
  • Tools adapted for large systems.
    • Should we develop tools/concepts for methods that are not quantum, but could be useful to get insight in large and complex systems, such as enzymes, proteins, etc.?
  • How should we fund all this ?
    • Getting people to meet at a workshop costs a lot of money. The "advanced institute" would cost even more...
    • Meetings: Should we try to meet over internet, with tools like Skype, Zoom, ..., (cf. https://winterschool.cc/)? At least, this is cheap, and meetings can be recorded, and followed by those who did not participate.