Saad A. Mohamed

4 Engineering Drive 4
Singapore, 117585, Singapore

Last Updated: 09/26/2026

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Found 11 publications

Can a Covalent-Organic Framework Sustain Structural Integrity during Activation? Microscopic Insight from Molecular Simulation.

Can a Covalent-Organic Framework Sustain Structural Integrity during Activation? Microscopic Insight from Molecular Simulation.

Journal: The journal of physical chemistry letters

Published: June 19, 2026

Computationally Guided Discovery of Metal-Organic Frameworks with One-Dimensional Channels for Highly Selective Adsorption of Xylene Isomers.

Computationally Guided Discovery of Metal-Organic Frameworks with One-Dimensional Channels for Highly Selective Adsorption of Xylene Isomers.

Journal: ACS nano

Published: May 08, 2026

Temperature-Responsive Xylene Isomer Separation via Biomimetic Window Confinement and Defect-Engineered Nanospace in Metal-Organic Frameworks.

Temperature-Responsive Xylene Isomer Separation via Biomimetic Window Confinement and Defect-Engineered Nanospace in Metal-Organic Frameworks.

Journal: ACS nano

Published: January 26, 2026

Computational design of metal-organic frameworks with triangular adsorbaphores for highly selective adsorption of m-xylene.

Computational design of metal-organic frameworks with triangular adsorbaphores for highly selective adsorption of m-xylene.

Journal: Nanoscale

Published: September 09, 2025

Toward a Generalizable Machine-Learned Potential for Metal-Organic Frameworks.

Toward a Generalizable Machine-Learned Potential for Metal-Organic Frameworks.

Journal: ACS nano

Published: January 15, 2025

Nanoscopic Insights into the Collapse of Metal-Organic Frameworks during Solvent Evacuation: Molecular Simulation Investigation.

Nanoscopic Insights into the Collapse of Metal-Organic Frameworks during Solvent Evacuation: Molecular Simulation Investigation.

Journal: Nano letters

Published: October 08, 2024

Exploiting Metal-Organic Frameworks for Vinylidene Fluoride Adsorption: From Force Field Development, Computational Screening to Machine Learning.

Exploiting Metal-Organic Frameworks for Vinylidene Fluoride Adsorption: From Force Field Development, Computational Screening to Machine Learning.

Journal: Environmental science & technology

Published: September 02, 2024

Classifying and Predicting the Thermal Expansion Properties of Metal-Organic Frameworks: A Data-Driven Approach.

Classifying and Predicting the Thermal Expansion Properties of Metal-Organic Frameworks: A Data-Driven Approach.

Journal: Journal of chemical information and modeling

Published: June 26, 2024

Accelerating Discovery of Water Stable Metal-Organic Frameworks by Machine Learning.

Accelerating Discovery of Water Stable Metal-Organic Frameworks by Machine Learning.

Journal: Small (Weinheim an der Bergstrasse, Germany)

Published: June 21, 2024

Hydrostable Fluorinated Metal-Organic Frameworks for CO2 Capture from a Wet Flue Gas: Multiscale Computational Screening.

Hydrostable Fluorinated Metal-Organic Frameworks for CO2 Capture from a Wet Flue Gas: Multiscale Computational Screening.

Journal: Chem & bio engineering

Published: May 31, 2024

Understanding the Structural Collapse during Activation of Metal-Organic Frameworks with Copper Paddlewheels.

Understanding the Structural Collapse during Activation of Metal-Organic Frameworks with Copper Paddlewheels.

Journal: Inorganic chemistry

Published: June 14, 2022

Showing 1-11 of 11

Last Updated: 09/26/2026