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Webinar: Classical Forcefields for Modeling Materials on Atomic Scale

Classical forcefield-based simulations complement electronic structure methods. Accurately parameterized forcefield-based classical methods extend the scope and range of electronic structure methods to substantially larger length and time scales. While forcefield-based simulations can provide unique insights and property data, classical forcefields have been difficult to use and to develop. However, the latest developments of the MedeA®software environment provides state-of-the-art forcefield support along with powerful tools to develop and deploy forcefields in simulating sophisticated systems and solving complex problems. This webinar will provide a review on forcefields supported in the MedeA® environment and an update on the latest developments in MedeA® for forcefield development.

 

In this free webinar, you will: 

  • Learn the basics of forcefields and gain knowledge on the forcefields supported in the MedeA®environment. 
  • Review the openness and straightforwardness of forcefield support in MedeA® and observe how literature parameters can be imported.
  • Discover how the Forcefield Optimizer bridges the gap between quantum mechanical and classical methods 

 

 

Publish while: 
2017 Aug 22 - 11 - 2017 Sep 30 - 14

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