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Article: Scientists at National Institute of Standards and Technology publish new data on modern physics.
- Article from:
- Physics Week
- Article date:
- November 10, 2009
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According to recent research published in the International Journal of Modern Physics C, "In this work we introduce a hybrid ab initio-classical simulation methodology designed to incorporate the chemistry into the description of phenomena that, intrinsically, require very large systems to be properly described. This hybrid approach allows us to conduct large-scale atomistic simulations with a simple classical potential (embedded atom method (EAM), for instance) while simultaneously using a more accurate ab initio approach for critical embedded regions."
"The coupling is made through shared atomic shells where the two atomistic modeling approaches are relaxed in ...