Différences entre les versions de « ACIT: Purposes and goals »

De Workshops
Aller à la navigation Aller à la recherche
 
(7 versions intermédiaires par 2 utilisateurs non affichées)
Ligne 1 : Ligne 1 :
 +
[[ACIT_:_the_project|<<< Back to main page]]
 +
 +
 +
 
''''' What do we want to ultimately achieve (in the medium/long run) ? '''''
 
''''' What do we want to ultimately achieve (in the medium/long run) ? '''''
  
  
* More chemists using conceptual models and interpretative methods in chemistry.
+
1. INCREASE INSIGHT INTO CHEMISTRY:
 +
 
 +
* Help experimentalists and computational chemists to rationalise the results of their (computer) experiments,
 +
* Give meaningfulness to the ever-increasing data that is generated
 +
 
 +
 
 +
2. CLARITY OF AVAILABLE CONCEPTS AND TOOLS:
 +
 
 +
* Define/clarify the terminology used by each method/model and aim to reach a common terminology.
 +
* Precise in which situation(s) and for which question(s) each specific tool/model can/cannot be used
 +
* Establish bridges between different angles of insight, coming from different classes of methods
 +
 
 +
This information should first be agreed on within the different method developers and then be made available to the chemical community.  
 +
 
  
 +
3. NEW DEVELOPMENTS OF USEFUL CONCEPT AND TOOLS:
  
* More chemistry students knowing the different available conceptual models and methods.
+
Promote interaction and collective work within, and between sub-communities of theoreticians and experimentalists.
  
  
* New concepts and methods.
+
4. SPREADING OF CORE CONCEPTS IN CHEMISTRY
  
 +
Core concepts should spread at three different levels:
 +
* within universities
 +
* within high schools
 +
* among the general public
  
* Establishing bridges between different angles of insight, coming from different classes of methods (between MO- and VB-related models/methods, with Quantum Chemical Topology and other categories of “real-space” interpretative methods,…).
 
  
 +
<font color="red"> ''*** I think this can be removed...***'' </font>
  
* Teaching people how to avoid mistakes.
+
<font color="grey"> ''4. DIFFUSION OF CONCEPTUAL TOOLS AND MODELS IN THE CHEMICAL COMMUNITY:
** ''Andreas: I have noticed that when a concept starts being applied, also false statements begin spreading''
 
  
* Diffusing new models and concepts to other communities (org. chem.; inorg. chem.;biochem.;...)
+
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.
 +
''</font>

Dernière version du 11 novembre 2018 à 13:23

<<< Back to main page


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


1. INCREASE INSIGHT INTO CHEMISTRY:

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


2. CLARITY OF AVAILABLE CONCEPTS AND TOOLS:

  • Define/clarify the terminology used by each method/model and aim to reach a common terminology.
  • Precise in which situation(s) and for which question(s) each specific tool/model can/cannot be used
  • Establish bridges between different angles of insight, coming from different classes of methods

This information should first be agreed on within the different method developers and then be made available to the chemical community.


3. NEW DEVELOPMENTS OF USEFUL CONCEPT AND TOOLS:

Promote interaction and collective work within, and between sub-communities of theoreticians and experimentalists.


4. SPREADING OF CORE CONCEPTS IN CHEMISTRY

Core concepts should spread at three different levels:

  • within universities
  • within high schools
  • among the general public


*** I think this can be removed...***

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.