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Theoretical and Computational Chemistry

Working Paper

A Data-Driven Perspective on the Colours of Metal-Organic Frameworks

Kevin Maik Jablonka, Seyed Mohamad Moosavi, Mehrdad Asgari, Christopher Ireland, Luc Patiny, Berend Smit

Version 1 posted 01 October 2020

602

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1

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Theoretical and Computational Chemistry

Working Paper

Using Collective Knowledge to Assign Oxidation States

Kevin Maik Jablonka, Daniele Ongari, Seyed Mohamad Moosavi, Berend Smit

Version 1 posted 17 January 2020

2,121

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6

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Inorganic Chemistry

Working Paper

Understanding the Diversity of the Metal-Organic Framework Ecosystem

Seyed Mohamad Moosavi, Aditya Nandy, Kevin Maik Jablonka, Daniele Ongari, Jon Paul Janet, Peter G. Boyd, Yongjin Lee, Berend Smit, Heather Kulik

Version 1 posted 07 May 2020

1,040

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1

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Chemical Engineering and Industrial Chemistry

Working Paper

Adaptive Representation of Molecules and Materials in Bayesian Optimization

Mahyar Rajabi Kochi, Negareh Mahboubi, Aseem Partap Singh Gill, Seyed Mohamad Moosavi

Version 1 posted 15 November 2024

205

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Organic Chemistry

Working Paper

Geometric Landscapes for Material Discovery within Energy-Structure-Function Maps

Seyed Mohamad Moosavi, Henglu Xu, Linjiang Chen, Andrew I. Cooper, Berend Smit

Version 1 posted 07 February 2020

882

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Materials Chemistry

Working Paper

A Data-Science Approach to Predict the Heat Capacity of Nanoporous Materials

Seyed Mohamad Moosavi, Balázs Álmos Novotny, Daniele Ongari, Elias Moubarak, Mehrdad Asgari, Özge Kadioglu, Charithea Charalambous, Andres Guerrero, Amir H. Farmahini, Lev Sarkisov, Susana Garcia, Frank Noé, Berend Smit

Version 1 posted 19 April 2022

1,386

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Chemical Engineering and Industrial Chemistry

Working Paper

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

Elias Moubarak, Seyed Mohamad Moosavi, Charithea Charalambous, Susana Garcia, Berend Smit

Version 1 posted 26 April 2023

446

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Theoretical and Computational Chemistry

Working Paper

Inverse Design of Porous Materials: A Diffusion Model Approach

Junkil Park, Aseem Partap Singh Gill, Seyed Mohamad Moosavi, JIHAN KIM

Version 1 posted 18 July 2023

963

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Theoretical and Computational Chemistry

Working Paper

Diversifying databases of metal organic frameworks for high-throughput computational screening

Sauradeep Majumdar, Seyed Mohamad Moosavi, Kevin Maik Jablonka, Daniele Ongari, Berend Smit

Version 1 posted 28 September 2021

324

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Materials Science

Working Paper

Using genetic algorithms to systematically improve the synthesis conditions of Al-PMOF

Nency P. Domingues, Seyed Mohamad Moosavi, Leopold Talirz, Christopher P. Ireland, Fatmah Mish Ebrahim, Berend Smit

Version 1 posted 21 June 2022

415

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2

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Refine Search

14 results in Mohamad Moosavi in Authors: Mohamad Moosavi

A Data-Driven Perspective on the Colours of Metal-Organic Frameworks

Using Collective Knowledge to Assign Oxidation States

Understanding the Diversity of the Metal-Organic Framework Ecosystem

Adaptive Representation of Molecules and Materials in Bayesian Optimization

Geometric Landscapes for Material Discovery within Energy-Structure-Function Maps

A Data-Science Approach to Predict the Heat Capacity of Nanoporous Materials

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

Inverse Design of Porous Materials: A Diffusion Model Approach

Diversifying databases of metal organic frameworks for high-throughput computational screening

Using genetic algorithms to systematically improve the synthesis conditions of Al-PMOF

14 results in Authors: Mohamad Moosavi