Berend Smit

System Simulation (United Kingdom) — United Kingdom

Chemistry · Physical Sciences

120h-index72.4kcitations791works11.72yr avg
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Research Topics

Metal-Organic Frameworks: Synthesis and Applications(230), Zeolite Catalysis and Synthesis(145), X-ray Diffraction in Crystallography(136), Phase Equilibria and Thermodynamics(119), Crystallization and Solubility Studies(102)

Publications791 total

EngineTalk: supported maintenance of diesel engines aboard navy ships through a RAGenabled LLM system
2025
Lead, Locked Away: Porous Zr–Phytate Coordination Polymers for Rapid and Selective Removal of Pb <sup>2+</sup> from Water
Journal of the American Chemical Society·2025Open Access
Thermal transport mechanisms in ZIFs
Nature Communications·2025Open Access
Lead, Locked Away: Porous Zr–Phytate Coordination Polymer for Rapid and Selective Removal of Pb²⁺ from Water
2025Open Access
Machine learning potential for modelling dynamic hydrogen bond networks in MOF MIL-120
2025
Generalized Machine Learning Potentials for Water Adsorption in Al-Based Metal–Organic Frameworks Considering Framework Flexibility
2025· 1 citedOpen Access
Machine learning potential for modelling dynamic hydrogen bond networks in MOF MIL-120
2025· 1 citedOpen Access
FFLAME: A Fragment-to-Framework Learning Approach for MOF Potentials
2025· 1 citedOpen Access
Anisotropic node distortions in amorphous MOFs: Low-valent Zr sites as catalytic hotspots
Chem·2025· 3 citedOpen Access
A Microporous Bimetallic Aluminum-Copper-Carboxylate-Pyrazolate MOF for CO2 Capture
2025Open Access
Unveiling Thermal Transport Mechanisms in ZIFs: A Circuit Model Approach to Network and Functional Group Design
2025· 1 citedOpen Access
Correspondence on “The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture”
ACS Central Science·2025· 3 citedOpen Access
Author response for "Exploring the Chemical Design Space of Metal-Organic Frameworks for Photocatalysis"
2025
Author response for "MOFChecker: A Package for Validating and Correcting Metal-Organic Framework (MOF) Structures"
2025
Author response for "MOFChecker: A Package for Validating and Correcting Metal-Organic Framework (MOF) Structures"
2025
Author response for "Exploring the Chemical Design Space of Metal-Organic Frameworks for Photocatalysis"
2025
MOFChecker: An algorithm for Validating and Correcting Metal-Organic Framework (MOF) Structures
2025· 1 citedOpen Access
Unraveling metal effects on CO2 uptake in pyrene-based metal-organic frameworks
Nature Communications·2025· 9 citedOpen Access
Nonuniform Chiralization of Metal–Organic Frameworks Using Imine Chemistry
ACS Materials Au·2025Open Access
Exploring the Chemical Design Space of Metal-Organic Frameworks for Photocatalysis
2025Open Access
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Frequent Co-authors

Daan Frenkel(8), Maciej Harańczyk(7), Jeffrey R. Long(6), Cory M. Simon(6), Jeffrey A. Reimer(4), Seyed Mohamad Moosavi(4), Richard L. Martin(4), Jihan Kim(4), Joseph A. Swisher(4), Rajamani Krishna(4), S. Karaborni(4), Kyuho Lee(3), Jeffrey B. Neaton(3), Peter G. Boyd(3), Theo L. M. Maesen(3), Li‐Chiang Lin(3), Kevin Maik Jablonka(3), Deanna M. D’Alessandro(2), Jarad A. Mason(2), Xueqian Kong(2)