Seyedmohamad Moosavi

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Related publications (28)

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Using collective knowledge to assign oxidation states of metal cations in metal-organic frameworks

Berend Smit, Seyedmohamad Moosavi, Kevin Maik Jablonka, Daniele Ongari

Knowledge of the oxidation state of metal centres in compounds and materials helps in the understanding of their chemical bonding and properties. Chemists have developed theories to predict oxidation states based on electron-counting rules, but these can f ...

NATURE RESEARCH2021

Reticular chemistry for the rational design of mechanically robust mesoporous merged-net metal-organic frameworks

Berend Smit, Seyedmohamad Moosavi

Access to metal-organic frameworks (MOFs) with enhanced me-chanical stability is key to their successful deployment in practical applications. However, the high porosity of the material often af-fects mechanical stability. In this article, to achieve highl ...

CELL PRESS2023

The Role of Machine Learning in the Understanding and Design of Materials

Berend Smit, Seyedmohamad Moosavi, Kevin Maik Jablonka

Developing algorithmic approaches for the rational design and discovery of materials can enable us to systematically find novel materials, which can have huge technological and social impact. However, such rational design requires a holistic perspective ov ...

2020

A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture

Berend Smit, Seyedmohamad Moosavi, Elias Moubarak

To rank the performanceof materials for a given carbon captureprocess, we rely on pure component isotherms from which we predictthe mixture isotherms. For screening a large number of materials,we also increasingly rely on isotherms predicted from molecular ...

AMER CHEMICAL SOC2023

Guest-dependent negative thermal expansion in a lanthanide-based metal-organic framework

Berend Smit, Kyriakos Stylianou, Seyedmohamad Moosavi, Andrzej Gladysiak

A lanthanide-based metal-organic framework (MOF) named SION-2 displays strong and tuneable uniaxial negative thermal expansion (NTE). The coefficient of thermal expansion alpha(1) reaches -153(6) MK-1 between 100 and 340 K, which is the highest value repor ...

2019