Multicomp: Software Package for Multiscale Simulations

Mikhail Akhukov; Daria Guseva; Andrey Kniznik; Pavel Komarov; Vladimir Rudyak; Denis Shirabaykin; Anton Skomorokhov; Sergey Trepalin; Boris Potapkin

doi:10.1007/978-3-030-92864-3_14

Multicomp: Software Package for Multiscale Simulations

Mikhail Akhukov, Daria Guseva, Andrey Kniznik, Pavel Komarov^*, Vladimir Rudyak, Denis Shirabaykin, Anton Skomorokhov, Sergey Trepalin, Boris Potapkin

^*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

1 Scopus citations

Abstract

Here, we present a computational package for collaborative distributed design of new nanocomposite materials using multi-level modeling technology by one user and a group of engineers or researchers. It contains a high-level set of integrated, versatile tools to simulate and analyze elastomeric nanocomposites, consisting of cross-linked linear/branched copolymers containing different discrete fillers. The package can also be used to study the formation and properties of nanocomposite interpenetrating polymer networks and microphase-separated organic-inorganic hybrid materials.

Original language	English
Title of host publication	Supercomputing - 7th Russian Supercomputing Days, RuSCDays 2021, Revised Selected Papers
Editors	Vladimir Voevodin, Sergey Sobolev
Publisher	Springer Science and Business Media Deutschland GmbH
Pages	174-185
Number of pages	12
ISBN (Print)	9783030928636
DOIs	https://doi.org/10.1007/978-3-030-92864-3_14
State	Published - 2021
Externally published	Yes
Event	7th Russian Supercomputing Days Conference, RuSCDays 2021 - Moscow, Russian Federation Duration: 27 Sep 2021 → 28 Sep 2021

Publication series

Name	Communications in Computer and Information Science
Volume	1510 CCIS
ISSN (Print)	1865-0929
ISSN (Electronic)	1865-0937

Conference

Conference	7th Russian Supercomputing Days Conference, RuSCDays 2021
Country/Territory	Russian Federation
City	Moscow
Period	27/09/21 → 28/09/21

Funding

Funders	Funder number
INEOS RAS
National Research Council Canada
Russian Foundation for Basic Research	19-53-52004
Russian Foundation for Basic Research
Ministry of Education and Science of the Russian Federation

Keywords

Computer design
Multiscale simulations
Nanotechnology
Polymer nanocomposites
Software package

Access to Document

10.1007/978-3-030-92864-3_14

Cite this

Akhukov, M., Guseva, D., Kniznik, A., Komarov, P., Rudyak, V., Shirabaykin, D., Skomorokhov, A., Trepalin, S., & Potapkin, B. (2021). Multicomp: Software Package for Multiscale Simulations. In V. Voevodin, & S. Sobolev (Eds.), Supercomputing - 7th Russian Supercomputing Days, RuSCDays 2021, Revised Selected Papers (pp. 174-185). (Communications in Computer and Information Science; Vol. 1510 CCIS). Springer Science and Business Media Deutschland GmbH. https://doi.org/10.1007/978-3-030-92864-3_14

Akhukov, Mikhail ; Guseva, Daria ; Kniznik, Andrey et al. / Multicomp : Software Package for Multiscale Simulations. Supercomputing - 7th Russian Supercomputing Days, RuSCDays 2021, Revised Selected Papers. editor / Vladimir Voevodin ; Sergey Sobolev. Springer Science and Business Media Deutschland GmbH, 2021. pp. 174-185 (Communications in Computer and Information Science).

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abstract = "Here, we present a computational package for collaborative distributed design of new nanocomposite materials using multi-level modeling technology by one user and a group of engineers or researchers. It contains a high-level set of integrated, versatile tools to simulate and analyze elastomeric nanocomposites, consisting of cross-linked linear/branched copolymers containing different discrete fillers. The package can also be used to study the formation and properties of nanocomposite interpenetrating polymer networks and microphase-separated organic-inorganic hybrid materials.",

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Akhukov, M, Guseva, D, Kniznik, A, Komarov, P, Rudyak, V, Shirabaykin, D, Skomorokhov, A, Trepalin, S & Potapkin, B 2021, Multicomp: Software Package for Multiscale Simulations. in V Voevodin & S Sobolev (eds), Supercomputing - 7th Russian Supercomputing Days, RuSCDays 2021, Revised Selected Papers. Communications in Computer and Information Science, vol. 1510 CCIS, Springer Science and Business Media Deutschland GmbH, pp. 174-185, 7th Russian Supercomputing Days Conference, RuSCDays 2021, Moscow, Russian Federation, 27/09/21. https://doi.org/10.1007/978-3-030-92864-3_14

Multicomp: Software Package for Multiscale Simulations. / Akhukov, Mikhail; Guseva, Daria; Kniznik, Andrey et al.
Supercomputing - 7th Russian Supercomputing Days, RuSCDays 2021, Revised Selected Papers. ed. / Vladimir Voevodin; Sergey Sobolev. Springer Science and Business Media Deutschland GmbH, 2021. p. 174-185 (Communications in Computer and Information Science; Vol. 1510 CCIS).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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AU - Rudyak, Vladimir

AU - Shirabaykin, Denis

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AB - Here, we present a computational package for collaborative distributed design of new nanocomposite materials using multi-level modeling technology by one user and a group of engineers or researchers. It contains a high-level set of integrated, versatile tools to simulate and analyze elastomeric nanocomposites, consisting of cross-linked linear/branched copolymers containing different discrete fillers. The package can also be used to study the formation and properties of nanocomposite interpenetrating polymer networks and microphase-separated organic-inorganic hybrid materials.

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KW - Multiscale simulations

KW - Nanotechnology

KW - Polymer nanocomposites

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Akhukov M, Guseva D, Kniznik A, Komarov P, Rudyak V, Shirabaykin D et al. Multicomp: Software Package for Multiscale Simulations. In Voevodin V, Sobolev S, editors, Supercomputing - 7th Russian Supercomputing Days, RuSCDays 2021, Revised Selected Papers. Springer Science and Business Media Deutschland GmbH. 2021. p. 174-185. (Communications in Computer and Information Science). doi: 10.1007/978-3-030-92864-3_14

Multicomp: Software Package for Multiscale Simulations

Abstract

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Conference

Funding

Keywords

Access to Document

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