Marco Gibaldi
6PUBLICATIONS
8CO-AUTHORS
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Publications (6)
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|Jan 10, 2026
High-Throughput Screening of Experimental Metal-organic Frameworks for High Water Content Syngas Hydrogen Purification under Pressure Swing Adsorption Conditions.Jun Luo, Marco Gibaldi, Samira Rostom
|Sep 02, 2025
Identification of Metal-Organic Frameworks for near Practical Energy Limit CO2 Capture from Wet Flue Gases: An Integrated Atomistic and Process Simulation Screening of Experimental MOFs.Ohmin Kwon, Marco Gibaldi, Kasturi Nagesh Pai
|May 16, 2025
High Structural Error Rates in "Computation-Ready" MOF Databases Discovered by Checking Metal Oxidation States.Andrew J White, Marco Gibaldi, Jake Burner
|Feb 03, 2025
MOSAEC-DB: a comprehensive database of experimental metal-organic frameworks with verified chemical accuracy suitable for molecular simulations.Marco Gibaldi, Anna Kapeliukha, Andrew White
|Dec 23, 2024
Incorporation of Ligand Charge and Metal Oxidation State Considerations into the Computational Solvent Removal and Activation of Experimental Crystal Structures Preceding Molecular Simulation.Marco Gibaldi, Anna Kapeliukha, Andrew White
|Sep 19, 2022
The HEALED SBU Library of Chemically Realistic Building Blocks for Construction of Hypothetical Metal-Organic Frameworks.Marco Gibaldi, Ohmin Kwon, Andrew White
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