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The research performed by KNU quantum chemistry group is composed of new quantum theory developments and their applications. The specific interests are. Development and application of QM/MM and QM/EFP-MD for the study of solution chemistry. Development of fast quantum methods to overcome high scaling barriers of conventional theories. Development and application of QM/MM and QM/EFP methods especially for the design of new functional semiconductor devices.

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WELCOME to qchemlab | qchem.knu.ac.kr Reviews

https://qchem.knu.ac.kr

The research performed by KNU quantum chemistry group is composed of new quantum theory developments and their applications. The specific interests are. Development and application of QM/MM and QM/EFP-MD for the study of solution chemistry. Development of fast quantum methods to overcome high scaling barriers of conventional theories. Development and application of QM/MM and QM/EFP methods especially for the design of new functional semiconductor devices.

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WELCOME to qchemlab

The research performed by KNU quantum chemistry group is composed of new quantum theory developments and their applications. The specific interests are. Development and application of QM/MM and QM/EFP-MD for the study of solution chemistry. Development of fast quantum methods to overcome high scaling barriers of conventional theories. Development and application of QM/MM and QM/EFP methods especially for the design of new functional semiconductor devices.

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Petersburg Nuclear Physics Institute. This activity was initiated by the experimental study of the Parity Non-Conservation (PNC) effects in such molecules as TlF. And started in 1982 with PhD work of A.Titov. Thesis " Effective Potentials and Generalized Brillouin Theorem for electronic states of molecules. Was defended in 1986. In 1996, PhD thesis "Development of Relativistic Effective Core Potential method. In Russian. Brief review of the thesis .dvi file. Now we are working in the following directions.

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