Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

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New design methodology for future 2D materials based on physical and computational rationale

2021/43/B/ST8/03207

Keywords:

2D Materials with p-orbitals 2D Materials with d-orbitals Large nano-superstructures Moire patterns MD DFT Artificial intelligence methods

Descriptors:

  • ST8_003:

Panel:

ST8 - Production and processes engineering: modelling, product design, process design and control, construction methods and engineering, power units and systems

Host institution :

Instytut Podstawowych Problemów Techniki Polska Akademia Nauk

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Tadeusz Burczyński 

Number of co-investigators in the project: 6

Call: OPUS 22 - announced on 2021-09-15

Amount awarded: 978 880 PLN

Project start date (Y-m-d): 2022-06-24

Project end date (Y-m-d): 2026-06-23

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

Project status: Pending project

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 (6)
  1. Quantum-inspired evolutionary optimization of SLMoS2 two-phase structures
    Authors:
    W. Kuś, A. Mrozek
    Academic press:
    Computer Methods in Materials Science (rok: 2022, tom: 22(2), strony: 67-78), Wydawca: Wyd. AGH
    Status:
    Published
    DOI:
    10.7494/cmms.2022.2.0777 - link to the publication
  2. Transferability of interatomic potentials for silicene
    Authors:
    M. Maździarz
    Academic press:
    Beilstein Journal of Nanotechnology (rok: 2023, tom: 14, strony: 574-585), Wydawca: Beilstein
    Status:
    Published
    DOI:
    10.3762/bjnano.14.48 - link to the publication
  3. Uncertainty of DFT Calculated Mechanical and Structural Properties of Solids due to Incompatibility of Pseudopotentials and Exchange–Correlation Functionals
    Authors:
    M. Maździarz
    Academic press:
    Journal of Chemical Theory and Computation (rok: 2024, tom: 20(21), strony: 9734-9740), Wydawca: ACS Publications
    Status:
    Published
    DOI:
    10.1021/acs.jctc.4c01036 - link to the publication
  4. First-principles study and mesoscopic modeling of two-dimensional spin and orbital fluctuations in FeSe
    Authors:
    Abyay Ghosh , Piotr Chudzinski, Myrta Grüning
    Academic press:
    PHYSICAL REVIEW RESEARCH (rok: 2024, tom: 6, strony: 043154-1- 043154-17), Wydawca: APS
    Status:
    Published
    DOI:
    10.1103/PhysRevResearch.6.043154 - link to the publication
  5. Comment on Effects of shear methods on shear strengths and deformation modes of two typical transition metal carbides and their unification
    Authors:
    M. Maździarz
    Academic press:
    Physical Review B (rok: 2023, tom: 108(21), strony: 216101-1-216101-3), Wydawca: APS
    Status:
    Published
    DOI:
    10.1103/PhysRevB.108.216101 - link to the publication
  6. Transferability of interatomic potentials for germanene (2D germanium)
    Authors:
    M. Maździarz
    Academic press:
    JOURNAL OF APPLIED PHYSICS (rok: 2023, tom: 134(18), strony: 184303-1-184303-8), Wydawca: AIP
    Status:
    Published
    DOI:
    10.1063/5.0173745 - link to the publication

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