Decoding the Mechanisms Underlying Metal-Organic Frameworks Self-Assembly

Project Information

MAGNIFY

Grant agreement ID: 101042514

DOI

10.3030/101042514

EC signature date 14 March 2022

Start date 1 December 2022

End date 30 November 2027

Funded under

• European Research Council (ERC)

Total cost

€ 1 340 375,00

EU contribution

€ 1 340 375,00

Coordinated by

SORBONNE UNIVERSITE
France

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

Documents, reports (1)

Data Management Plan

Publications

Peer reviewed articles (6)

Microscopic mechanism of thermal amorphization of ZIF-4 and melting of ZIF-zni revealed <i>via</i> molecular dynamics and machine learning techniques

Author(s): Emilio Méndez, Rocio Semino
Published in: Journal of Materials Chemistry A, Issue 12, 2024, ISSN 2050-7488
Publisher: Royal Society of Chemistry (RSC)
DOI: 10.1039/D3TA07361K

Force matching and iterative Boltzmann inversion coarse grained force fields for ZIF-8

Author(s): Cecilia M. S. Alvares, Rocio Semino
Published in: The Journal of Chemical Physics, Issue 160, 2024, ISSN 0021-9606
Publisher: AIP Publishing
DOI: 10.1063/5.0190807

Coarse-grained modeling of zeolitic imidazolate framework-8 using MARTINI force fields

Author(s): Cecilia M. S. Alvares, Guillaume Maurin, Rocio Semino
Published in: The Journal of Chemical Physics, Issue 158, 2023, ISSN 0021-9606
Publisher: AIP Publishing
DOI: 10.1063/5.0145924

Thermodynamic insights into the self-assembly of zeolitic imidazolate frameworks from computer simulations

Author(s): Emilio Méndez, Rocio Semino
Published in: Chemical Science, 2025, ISSN 2041-6520
Publisher: Royal Society of Chemistry (RSC)
DOI: 10.1039/D5SC00807G

Phase diagram of ZIF-4 from computer simulations

Author(s): Emilio Méndez, Rocio Semino
Published in: Journal of Materials Chemistry A, Issue 12, 2024, ISSN 2050-7488
Publisher: Royal Society of Chemistry (RSC)
DOI: 10.1039/D4TA05026F

Computer simulation of the early stages of self-assembly and thermal decomposition of ZIF-8

Author(s): S. R. G. Balestra, R. Semino
Published in: The Journal of Chemical Physics, Issue 157, 2022, ISSN 0021-9606
Publisher: AIP Publishing
DOI: 10.1063/5.0128656