Projects funded by the NCN
Computational design of magnetic metal-organic frameworks using ab initio crystal structure prediction
2022/47/O/ST5/01611
Keywords:
Crystal structure prediction (CSP) Metal-organic frameworks (MOFs) Magnetism periodic density-functional theory (DFT) machine learning
Descriptors:
- ST4_4: Theoretical and computational chemistry
- ST3_8: Magnetism and strongly correlated systems
- ST5_1: Structural properties of materials
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
Principal investigator (from the host institution):
Number of co-investigators in the project: 2
Call: PRELUDIUM BIS 4 - announced on 2022-07-15
Amount awarded: 558 600 PLN
Project start date (Y-m-d): 2023-05-22
Project end date (Y-m-d): 2027-09-30
Project duration:: 48 months (the same as in the proposal)
Project status: Pending project
Project description
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