ACIT: Purposes and goals

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:

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