ACIT: Purposes and goals

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What do we want to ultimately achieve (in the medium/long run) ?


1. INCREASE INSIGHT INTO CHEMISTRY:

We want:

  • to help experimentalists and computational chemists to rationalise the results of their (computer) experiments,
  • to give meaningfulness to the ever-increasing data that is generated


2. CLARITY OF AVAILABLE CONCEPTS AND TOOLS:

by helping the method/model developers, in each sub-community, to collectively:

  • define/clarify the terminology they use in their method/model
  • precise what each method/model can and cannot do
  • establishing bridges between different angles of insight, coming from different classes of methods


3. NEW DEVELOPMENTS OF USEFUL CONCEPT AND TOOLS:

by promoting the interaction and collective work within, and between sub-communities of theoreticians and experimentalists.


4. DIFFUSION OF CONCEPTUAL TOOLS AND MODELS IN THE CHEMICAL COMMUNITY:

by helping chemists understand:

  • in which situation(s) and for which question(s) each specific tool/model can/cannot be used
  • the common ground, but also differences in viewpoints and capabilities between related tools/models
  • the terminology used by different methods.


5. DIFFUSION OF CORE CONCEPT IN CHEMISTRY

at three different levels:

  • in the university
  • in high school
  • in the general public