Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

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Computer modeling of phenomena in macromelcular systems using Analyzer of Real Complex Systems

2017/25/B/ST5/01970

Keywords:

molecular simulations complex macromolecular systems cooperative motion algorithms Analyzer of Real Complex Systems

Descriptors:

  • ST5_1: Structural properties of materials
  • ST4_4: Theoretical and computational chemistry
  • ST4_15: Colloid chemistry

Panel:

ST5 - Materials: materials synthesis, structure-properties relations, advanced and functional materials with designed properties, (macro)molecular architecture, material engineering

Host institution :

Uniwersytet Warszawski, Wydział Chemii

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr hab. Andrzej Sikorski 

Number of co-investigators in the project: 9

Call: OPUS 13 - announced on 2017-03-15

Amount awarded: 989 800 PLN

Project start date (Y-m-d): 2018-02-21

Project end date (Y-m-d): 2022-02-20

Project duration:: 48 months (the same as in the proposal)

Project status: Project settled

Project description

Download the project description in a pdf file

Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Information in the final report

  • Publication in academic press/journals (17)
  • Articles in post-conference publications (1)
  • Book publications / chapters in book publications (1)
  1. The concept of cooperative dynamics in simulations of soft matter
    Authors:
    P. Polanowski, A. Sikorski
    Academic press:
    Frontiers in Physics (rok: 2020, tom: 8, strony: 607480), Wydawca: Frontiers Editorial Office
    Status:
    Published
    DOI:
    10.3389/fphy.2020.607480 - link to the publication
  2. From the Dynamic Lattice Liquid Algorithm to the Dedicated Parallel Computer – mDLL Machine
    Authors:
    J. Jung, R. Kiełbik, K. Rudnicki, K. Hałagan, P. Polanowski, A. Sikorski
    Academic press:
    Computational Methods in Science and Technology (rok: 2018, tom: 24, strony: 235-247), Wydawca: Instytut Chemii Bioorganicznej PAN i Poznańskie Centrum Superkomputerowo-Sieciowe
    Status:
    Published
    DOI:
    10.12921/cmst.2018.0000054 - link to the publication
  3. The structure of polymer brushes: the transition from dilute to dense systems: a computer simulation study
    Authors:
    P. Polanowski, A. Sikorski
    Academic press:
    Soft Matter (rok: 2021, tom: 17, strony: 10516), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/d1sm01306h - link to the publication
  4. Computer Simulation of the Dynamic Behavior of Double Polymer Brush-Solvent Systems
    Authors:
    K. Hałagan, M. Banaszak, J. Jung, P. Polanowski, A. Sikorski
    Academic press:
    CMST (rok: 2021, tom: 27, strony: 141-149), Wydawca: Instytut Chemii Bioorganicznej PAN i Poznańskie Centrum Superkomputerowo-Sieciowe
    Status:
    Published
    DOI:
    10.12921/cmst.2021.0000030 - link to the publication
  5. Dynamics of Opposing Polymer Brushes: A Computer Simulation Study
    Authors:
    K. Hałagan, M. Banaszak, J. Jung, P. Polanowski, A. Sikorski
    Academic press:
    Polymers (rok: 2021, tom: 13, strony: 2758), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/ - link to the publication
  6. Methodology of firmware development for ARUZ - an FPGA-based HPC system
    Authors:
    R. Kiełbik, K. Rudnicki, Z. Mudza, J. Jung
    Academic press:
    Electronics (rok: 2020, tom: 9, strony: 1482), Wydawca: MPDI
    Status:
    Published
    DOI:
    10.3390/electronics9091482 - link to the publication
  7. Monte Carlo study of triblock self-assembly by Cooperative Motion Algorithm
    Authors:
    S. Wołoszczuk, M. Banaszak
    Academic press:
    Computational Methods in Science and Technology (rok: 2020, tom: 26, strony: 89-95), Wydawca: Instytut Chemii Bioorganicznej PAN i Poznańskie Centrum Superkomputerowo-Sieciowe
    Status:
    Published
    DOI:
    10.12921/cmst.2020.0000025 - link to the publication
  8. Polymerization and Structure of Opposing Polymer Brushes Studied by Computer Simulations
    Authors:
    K. Hałagan, M. Banaszak, J. Jung, P. Polanowski, A. Sikorski
    Academic press:
    Polymers (rok: 2021, tom: 13, strony: 4294), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/polym13244294 - link to the publication
  9. Star polymers vs. dendrimers - studies on the synthesis based on computer simulations
    Authors:
    P. Polanowski, K. Hałagan, A. Sikorski
    Academic press:
    Polymers (rok: 2022, tom: 14, strony: 2522), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/polym14132522 - link to the publication
  10. Simulation of diffusion in dense molecular systems on ARUZ – massively-parallel FPGA-based machine
    Authors:
    R. Kiełbik, K. Hałagan, K. Rudnicki, G. Jabłoński, P. Polanowski, J. Jung
    Academic press:
    Computer Physics Communications , Wydawca: Elsevier
    Status:
    Submitted
    DOI:
    brak - link to the publication
  11. The Structure and Dynamics of Bottlebrushes: Simulation and Experimental Studies Combined
    Authors:
    W. Raj, K. Hałagan, S. Kadłubowski, P. Maczugowska, K. Szutkowski, J. Jung, J. Pietrasik, S. Jurga, A. Sikorski
    Academic press:
    Polymer , Wydawca: Elsevier
    Status:
    Submitted
    DOI:
    brak - link to the publication
  12. Dual Self-Assembly in Strongly Asymmetric A-B-A Triblock Copolymer Melts Studied by Self-Consistent Field Theory and Monte Carlo Simulations
    Authors:
    M. Dzięcielski, S. Wołoszczuk, M. Banaszak
    Academic press:
    Computational Methods in Science and Technology (rok: 2018, tom: 24, strony: 227-234), Wydawca: Instytut Chemii Bioorganicznej PAN i Poznańskie Centrum Superkomputerowo-Sieciowe
    Status:
    Published
    DOI:
    10.12921/cmst.2018.0000059 - link to the publication
  13. Percolation in Polydisperse Polymer Systems: A Computer Simulation Study
    Authors:
    O. Agajew, A. Sikorski
    Academic press:
    Macromolecular Theory and Simulations (rok: 2022, tom: 31, strony: 2100094), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/mats.202100094 - link to the publication
  14. Molecular transport in systems containing binding obstacles
    Authors:
    Piotr Polanowski, Andrzej Sikorski
    Academic press:
    Soft Matter (rok: 2019, tom: 15, strony: 10045-10054), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c9sm01876j - link to the publication
  15. Molecular-level description of constrained chain topologies in multiblock copolymer gel networks
    Authors:
    M. O. Tuhin, S. Woloszczuk, K. P. Mineart, M. A. Pasquinelli, J. D. Sadler, S. D. Smith,M. Banaszak, R. J. Spontak
    Academic press:
    Journal of Chemical Physics (rok: 2018, tom: 148, strony: 231101), Wydawca: American Institute of Physics
    Status:
    Published
    DOI:
    10.1063/1.5037231 - link to the publication
  16. Technology of Real-World Analyzers (TAUR) and its practical application
    Authors:
    J. Jung, R. Kiełbik, K. Hałagan, P. Polanowski, A. Sikorski
    Academic press:
    Computational Methods in Science and Technology (rok: 2020, tom: 26, strony: 69-75), Wydawca: Instytut Chemii Bioorganicznej PANi i Poznańskie Centrum Superkomputerowo-Sieciowe
    Status:
    Published
    DOI:
    10.12921/cmst.2020.0000023 - link to the publication
  17. Review of Recent Developments of Glass Transition in PVC Nanocomposites
    Authors:
    J. Tomaszewska , T. Sterzyński, A. Woźniak-Braszak, M. Banaszak
    Academic press:
    Polymers (rok: 2021, tom: 13, strony: 4336), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/ - link to the publication
  1. Technology of real-world analyzers (TAUR)
    Authors:
    J. Jung, K. Hałagan, and P. Polanowski
    Conference:
    Computational Technologies in Engineering 2018 (rok: 2019, ), Wydawca: AIP Conferences Proceedings
    Data:
    konferencja 43389
    Status:
    Published
  1. Monte Carlo Study of Spherical and Cylindrical Micelles in Multiblock Copolymer Solutions
    Authors:
    Krzysztof Lewandowski, Karolina Gębicka, Anna Kotlarska, Agata Krzywicka, Aneta Łasoń, Michał Banaszak
    Book:
    Lecture Notes in Computer Science (rok: 2020, tom: 12044, strony: 333-340), Wydawca: Springer Nature Switzerland
    Status:
    Published

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