Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review
Investigation of high-performance algorithms for numerical calculations of evolution of quantum systems based on their intrinsic properties. / Bogdanov, A. V.; Gevorkyan, A. S.; Grigoryan, A. G.; Matveev, S. A.
High-Performance Computing and Networking - 7th International Conference, HPCN Europe 1999, Proceedings. ed. / Peter Sloot; Alfons Hoekstra; Bob Hertzberger; Marian Bubak. Springer Nature, 1999. p. 1286-1291 (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); Vol. 1593).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review
}
TY - GEN
T1 - Investigation of high-performance algorithms for numerical calculations of evolution of quantum systems based on their intrinsic properties
AU - Bogdanov, A. V.
AU - Gevorkyan, A. S.
AU - Grigoryan, A. G.
AU - Matveev, S. A.
N1 - Publisher Copyright: © Springer-Verlag Berlin Heidelberg 1999. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.
PY - 1999
Y1 - 1999
N2 - A new method, based on the functional formulation of the theory of quantum mechanical multichannel scattering for three-body collinear systems is proposed. Based on intrinsic properties of scattering system the numerical task was divided into independent subtasks and the parallel algorithm for numerical computations was developed and tested on massive-parallel systems Parsytec CC/16 and SPP-1600. It was shown that efficiency of such algorithm scales linearly. This algorithm makes it possible to carry out converging computations for three-body problem for any energy. It is shown, that even in this simple case the principle of quantum determinism in the general case breaks down and we have a micro-irreversible quantum mechanics. The ab initio calculations of the quantum chaos (wave chaos) for the first time were carried out on the example of an elementary chemical reaction Li + (FH) → (LiFH)* → (Lit) + H.
AB - A new method, based on the functional formulation of the theory of quantum mechanical multichannel scattering for three-body collinear systems is proposed. Based on intrinsic properties of scattering system the numerical task was divided into independent subtasks and the parallel algorithm for numerical computations was developed and tested on massive-parallel systems Parsytec CC/16 and SPP-1600. It was shown that efficiency of such algorithm scales linearly. This algorithm makes it possible to carry out converging computations for three-body problem for any energy. It is shown, that even in this simple case the principle of quantum determinism in the general case breaks down and we have a micro-irreversible quantum mechanics. The ab initio calculations of the quantum chaos (wave chaos) for the first time were carried out on the example of an elementary chemical reaction Li + (FH) → (LiFH)* → (Lit) + H.
UR - http://www.scopus.com/inward/record.url?scp=84956857552&partnerID=8YFLogxK
U2 - 10.1007/bfb0100710
DO - 10.1007/bfb0100710
M3 - Conference contribution
AN - SCOPUS:84956857552
SN - 3540658211
SN - 9783540658214
T3 - Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
SP - 1286
EP - 1291
BT - High-Performance Computing and Networking - 7th International Conference, HPCN Europe 1999, Proceedings
A2 - Sloot, Peter
A2 - Hoekstra, Alfons
A2 - Hertzberger, Bob
A2 - Bubak, Marian
PB - Springer Nature
T2 - 7th International Conference on High-Performance Computing and Networking, HPCN Europe 1999
Y2 - 12 April 1999 through 14 April 1999
ER -
ID: 77310408