Research output per year
Research output per year
Personal profile
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.
- The Generalized Sturmian method for solving the many-particle Schrödinger equation.
- Automatic program analysis and abstract interpretation
- Extension and generalization of Size-change termination analysis.
- Algebraic models for abstract interpretation.
- Extension and generalization of Size-change termination analysis.
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.
CV
PDF-version of curriculum vitæ here:
Keywords
- Faculty of Science
- abstract interpretation
- termination analysis
- formelle sprog
- automatic program analysis
- programs as data
- mathematics
- functional analysis
- operator algebra
- symmetry
- representations of Lie-groups
- quantum theory
- quantum chemistry
- generalized Sturmian method
- generalized Sturmians
- atomic spectra
- symmetry adapted basis sets
- automatic generation of basis sets
Fingerprint
Dive into the research topics where James Emil Avery is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
- 6 Similar Profiles
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4-center STO interelectron repulsion integrals with Coulomb Sturmians
Avery, J. E. & Avery, J. S., 1 Jan 2018, In: Advances in Quantum Chemistry. 76, p. 133-146 14 p.Research output: Contribution to journal › Conference article › Research › peer-review
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Array streaming for array programming
Kristensen, M. R. B. & Avery, J. E., 1 Feb 2018, In: International Journal of Computational Science and Engineering. 17, 3, p. 263-282Research output: Contribution to journal › Journal article › Research › peer-review
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Chains, antichains, and complements in infinite partition lattices
Avery, J. E., Moyen, J.-Y., Ruzicka, P. & Simonsen, J. G., 1 Jun 2018, In: Algebra Universalis. 79, 37, 21 p., 37.Research output: Contribution to journal › Journal article › Research › peer-review
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Naming polyhedra by general face-spirals: theory and applications to fullerenes and other polyhedral molecules
Wirz, L., Schwerdtfeger, P. & Avery, J. E., 3 Oct 2018, In: Fullerenes Nanotubes and Carbon Nanostructures. 26, 10, p. 607-630 24 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Toward quantum-chemical method development for arbitrary basis functions
Herbst, M. F., Dreuw, A. & Avery, J. E., 28 Aug 2018, In: Journal of Chemical Physics. 149, 8, 15 p., 084106.Research output: Contribution to journal › Journal article › Research › peer-review
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Visualizing Automorphisms of Graph Algebras
Avery, J. E., Johansen, R. & Szymanski, W., 1 Feb 2018, In: Proceedings of the Edinburgh Mathematical Society. 61, 1, p. 215-249 35 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Wave Equations Without Coordinates I: Fullerenes
Avery, J. E., 1 Sept 2018, In: Rendiconti Lincei. Scienze Fisiche e Naturali. 29, 3, p. 609-621Research output: Contribution to journal › Journal article › Research › peer-review
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A chainlike relative coordinate system for few-particle problems
Avery, J. E. & Avery, J. S., 1 Feb 2017, In: Journal of Mathematical Chemistry. 55, 2, p. 584-597 14 p.Research output: Contribution to journal › Journal article › Research › peer-review
Activities
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VILLUM Young Investigator Program
Avery, J. E. (Participant)
21 Nov 2017Activity: Participating in or organising an event types › Participation in workshop, seminar, course
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Carbon Manifolds: Predicting Physical Properties from the Graph-theory of Carbon Nanostructures
Avery, J. E. (Other)
17 Nov 2017Activity: Talk or presentation types › Lecture and oral contribution
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IET Nanobiotechnology (Journal)
Avery, J. E. (Editor)
31 Oct 2017Activity: Publication peer-review and editorial work types › Peer review of manuscripts › Research
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Solving Wave Equations on Fullerene Surfaces
Avery, J. E. (Other)
6 Sept 2017Activity: Talk or presentation types › Lecture and oral contribution
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Solving wave equations on fullerene surfaces
Avery, J. E. (Other)
7 Jul 2017Activity: Talk or presentation types › Lecture and oral contribution
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ERC Starting Grant 2017 Interview
Avery, J. E. (Participant)
20 Jun 2017Activity: Participating in or organising an event types › Participation in workshop, seminar, course
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Solving Wave Equations on Discrete non-Euclidean Surfaces
Avery, J. E. (Other)
28 Apr 2017Activity: Talk or presentation types › Lecture and oral contribution
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IET Nanobiotechnology (Journal)
Avery, J. E. (Editor)
2017 → 2021Activity: Publication peer-review and editorial work types › Editor of Research journal › Research