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 interpret, rationalise and organize the results of their (computer) experiments.

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