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Journal of Chemical Theory and Computation
|
November 27, 2024
A Refined Set of Universal Force Field Parameters for Some Metal Nodes in Metal-Organic Frameworks
Yutao Li, Xin Jin, Elias Moubarak, et al.
Digital Discovery
|
May 23, 2025
MOFChecker: a package for validating and correcting metal-organic framework (MOF) structures
Xin Jin, Kevin Maik Jablonka, Elias Moubarak, et al.
Industrial & Engineering Chemistry Research
|
July 10, 2023
A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture
Elias Moubarak, Seyed Mohamad Moosavi, Charithea Charalambous, et al.
ACS Materials Au
|
May 19, 2025
Nonuniform Chiralization of Metal-Organic Frameworks Using Imine Chemistry
Balázs Álmos Novotny, Sauradeep Majumdar, Andres Ortega-Guerrero, et al.
Nature Materials
|
October 13, 2022
A data-science approach to predict the heat capacity of nanoporous materials
Seyed Mohamad Moosavi, Balázs Álmos Novotny, Daniele Ongari, et al.
Nature Communications
|
February 11, 2025
Unraveling metal effects on CO<sub>2</sub> uptake in pyrene-based metal-organic frameworks
Nency P Domingues, Miriam J Pougin, Yutao Li, et al.
Nature
|
July 17, 2024
A holistic platform for accelerating sorbent-based carbon capture
Charithea Charalambous, Elias Moubarak, Johannes Schilling, et al.
Digital Discovery
|
November 28, 2023
14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon
Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali, et al.
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Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 27, 2024
A Refined Set of Universal Force Field Parameters for Some Metal Nodes in Metal-Organic Frameworks
Yutao Li, Xin Jin, Elias Moubarak, et al.
Digital Discovery
|
May 23, 2025
MOFChecker: a package for validating and correcting metal-organic framework (MOF) structures
Xin Jin, Kevin Maik Jablonka, Elias Moubarak, et al.
Industrial & Engineering Chemistry Research
|
July 10, 2023
A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture
Elias Moubarak, Seyed Mohamad Moosavi, Charithea Charalambous, et al.
ACS Materials Au
|
May 19, 2025
Nonuniform Chiralization of Metal-Organic Frameworks Using Imine Chemistry
Balázs Álmos Novotny, Sauradeep Majumdar, Andres Ortega-Guerrero, et al.
Nature Materials
|
October 13, 2022
A data-science approach to predict the heat capacity of nanoporous materials
Seyed Mohamad Moosavi, Balázs Álmos Novotny, Daniele Ongari, et al.
Nature Communications
|
February 11, 2025
Unraveling metal effects on CO<sub>2</sub> uptake in pyrene-based metal-organic frameworks
Nency P Domingues, Miriam J Pougin, Yutao Li, et al.
Nature
|
July 17, 2024
A holistic platform for accelerating sorbent-based carbon capture
Charithea Charalambous, Elias Moubarak, Johannes Schilling, et al.
Digital Discovery
|
November 28, 2023
14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon
Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali, et al.
Page
of 1