Multicomp: Software Package for Multiscale Simulations

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

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

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 languageEnglish
Title of host publicationSupercomputing - 7th Russian Supercomputing Days, RuSCDays 2021, Revised Selected Papers
EditorsVladimir Voevodin, Sergey Sobolev
PublisherSpringer Science and Business Media Deutschland GmbH
Pages174-185
Number of pages12
ISBN (Print)9783030928636
DOIs
StatePublished - 2021
Externally publishedYes
Event7th Russian Supercomputing Days Conference, RuSCDays 2021 - Moscow, Russian Federation
Duration: 27 Sep 202128 Sep 2021

Publication series

NameCommunications in Computer and Information Science
Volume1510 CCIS

Conference

Conference7th Russian Supercomputing Days Conference, RuSCDays 2021
Country/TerritoryRussian Federation
CityMoscow
Period27/09/2128/09/21

Keywords

  • Computer design
  • Multiscale simulations
  • Nanotechnology
  • Polymer nanocomposites
  • Software package

All Science Journal Classification (ASJC) codes

  • General Computer Science
  • General Mathematics

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