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Theory on Molecular Interactions
Browse:timeDate：2016-04-05Author：admin[Print]

The group focuses on developing the theories on nanoscale interactions, including confinement induced novel electronic structural properties, and confined interactions of nanomaterials with chemical, biological, and medical systems, aiming at promoting the applications of nanostructured materials in energy-related and chemical, biological, medical, and environmental areas.

We are committed to the study on modeling and simulating the interactions in complex systems in atomic and molecular physics, surface science, materials science, biology, etc., aiming at revealing their formation/reaction mechanisms, microstructures and novel properties. The related theories and methodologieswill be further developed, including quantum first principles theories, molecular dynamics simulations,and QM/MM.


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