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Research projects: Confined Systems

Research Outline

The research focuses on reliable and accurate quantum-chemical studies of the properties and dynamics of quantum systems in external potentials, and on the development of an artificial intelligence approach to planning, conducting, and understanding of computational studies in quantum chemistry.

When a quantum system (electron, atom, molecule) is exercised to an external field its properties are modified. Research focuses on the understanding of the relations between the properties of confined quantum systems and the form of the confining potentials, like power series and Gaussian potentials, and high intensity laser and super strong magnetic fields. This provides, among others, information about quantum dots, catalytic reactions, and about the dynamics of quantum systems in high intensity laser and in super strong magnetic fields.

The immediate objective of the current research in information science and technology is to develop and implement an artificial intelligence approach to the planning, conducting, and understanding of computational studies in quantum chemistry by formalising and integrating general and specific knowledge from computational chemistry. The proposed evolutionary decision support system will provide non-expert users with guidance in selecting physically correct models which are amenable to computation and help to avoid results of unspecified reliability.

Comments to: Geerd HF Diercksen ghd@mpa-garching.mpg.de