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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.