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Webinar

Classical Forcefields for Modeling Materials on Atomic Scale

Presented by Dr. Ray Shan

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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.

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