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
Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Research output
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Calculating the number of Hamilton cycles in layered polyhedral graphs
Wirz, L. N., Schwerdtfeger, P. & Avery, J., Jul 2021, In: Computational and Mathematical Methods in Medicine. 3, 4, 15 p., e1142.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile20 Downloads (Pure) -
Simulating fullerene polyhedral formation from planar precursors
Heuser, B., Mikkelsen, K. V. & Avery, J. E., 21 Mar 2021, In: Physical Chemistry Chemical Physics. 23, 11, p. 6561-6573 13 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Lossy channels in Bohrium
Kristensen, M. R. B. & Avery, J. E., 2019, Communicating Process Architectures 2017 and 2018, WoTUG-39 and WoTUG-40 - Proceedings of CPA 2017 (WoTUG-39) and Proceedings of CPA 2018 (WoTUG-40). Pedersen, J. B., Chalmers, K., Broenink, J. F., Vinter, B., Vella, K., Welch, P. H., Smith, M. L. & Skovhede, K. (eds.). IMIA and IOS Press, p. 347-360 14 p. (Concurrent Systems Engineering Series, Vol. 70).Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review
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Quantum chemistry with Coulomb Sturmians: Construction and convergence of Coulomb Sturmian basis sets at the Hartree-Fock level
Herbst, M. F., Avery, J. E. & Dreuw, A., 18 Jan 2019, In: Physical Review A. 99, 1, 14 p., 012512.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile13 Citations (Scopus)156 Downloads (Pure) -
4-center STO interelectron repulsion integrals with Coulomb Sturmians
Avery, J. E. & Avery, J. S., 2018, In: Advances in Quantum Chemistry. 76, p. 133-146 14 p.Research output: Contribution to journal › Conference article › Research › peer-review
File6 Citations (Scopus) -
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., 2018, In: Algebra Universalis. 79, 37, 21 p., 37.Research output: Contribution to journal › Journal article › Research › peer-review
File4 Citations (Scopus) -
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
Open AccessFile9 Citations (Scopus)207 Downloads (Pure)
Activities
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VILLUM Young Investigator Program
James Emil Avery (Participant)
21 Nov 2017Activity: Participating in an event - types › Participation in workshop, seminar, course
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Carbon Manifolds: Predicting Physical Properties from the Graph-theory of Carbon Nanostructures
James Emil Avery (Other)
17 Nov 2017Activity: Talk or presentation types › Lecture and oral contribution
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IET Nanobiotechnology (Journal)
James Emil Avery (Editor)
31 Oct 2017Activity: Peer-review and editorial work types › Peer review of manuscripts › Research
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Solving Wave Equations on Fullerene Surfaces
James Emil Avery (Other)
6 Sep 2017Activity: Talk or presentation types › Lecture and oral contribution
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Solving wave equations on fullerene surfaces
James Emil Avery (Other)
7 Jul 2017Activity: Talk or presentation types › Lecture and oral contribution
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ERC Starting Grant 2017 Interview
James Emil Avery (Participant)
20 Jun 2017Activity: Participating in an event - types › Participation in workshop, seminar, course
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Solving Wave Equations on Discrete non-Euclidean Surfaces
James Emil Avery (Other)
28 Apr 2017Activity: Talk or presentation types › Lecture and oral contribution
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IET Nanobiotechnology (Journal)
James Emil Avery (Editor)
2017 → 2021Activity: Peer-review and editorial work types › Editor of Research journal › Research