– Niels Bohr Institute - University of Copenhagen

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Niels Bohr Institute > Staff > X-Ray and Neutron Science

James Emil Avery

James Emil Avery

Assistant professor

  • Xray and Neutron Science

    Emil Holms Kanal 6, 2300 København S, 24, 5. sal

Primary fields of research

  • Development and effectivisation of methods for computing electronic structure in quantum mechanical systems.
    • The Generalized Sturmian method for solving the many-particle Schrödinger equation.
    • Computational schemes combining quantum mechanical and classical methods for calculations on large QM systems.
    • Fast computations of interelectron integrals.

  • Automatic program analysis and abstract interpretation
    • Extension and generalization of Size-change termination analysis.
    • Algebraic models for abstract interpretation.

The research is both theoretical and practical, includiong development of mathematical models, transformation to useable algorithms, analysis and implementation, and application of the developed software to realistic problems.

Current research

  • Combination of linearly scaling DFT and classical electrostatics (using the Finite Element Method) for calculations on electronic structure problems for nano-scale devices.
  • Fast calculations of interelectron repulsion integrals for molecules.
  • A multilinear model for an automatic complexity analysis of higher-order programs.

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