Diego A. Gómez‐Gualdrón

Colorado School of Mines — United States

Chemistry · Physical Sciences

34h-index7.4kcitations114works2.82yr avg
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Research Topics

Metal-Organic Frameworks: Synthesis and Applications(69), Machine Learning in Materials Science(30), X-ray Diffraction in Crystallography(20), Covalent Organic Framework Applications(19), Catalytic Processes in Materials Science(16)

Publications114 total

Interactions of Common Synthesis Solvents with MOFs Studied via Free Energies of Solvation: Implications on Stability and Polymorph Selection
Chemistry of Materials·2026
Highly Accurate and Fast Prediction of MOF Free Energy via Machine Learning
Journal of the American Chemical Society·2025
Machine learning to design metal–organic frameworks: progress and challenges from a data efficiency perspective
Materials Horizons·2025Open Access
Expert-Guided LLM Approach for Sequence-Aware Extraction of MOF Synthesis
2025· 1 citedOpen Access
Data-Driven Insights on the Impact of Functionalization on Metal–Organic Framework Free Energies
Chemistry of Materials·2025· 4 cited
Promoting Effect of Ruthenium on Fe-Catalyzed Growth of Small-Diameter Single-Wall Carbon Nanotubes
ACS Omega·2025· 3 citedOpen Access
Highly Accurate and Fast Prediction of MOF Free Energy Via Machine Learning
2025· 1 citedOpen Access
Interactions of Common Synthesis Solvents with MOFs Studied via Free Energies of Solvation: Implications on Stability and Polymorph Selection
2025Open Access
Deciphering Self-Assembly Mechanisms of IRMOF- <i>n</i> -Inspired Three-Dimensional Cubic-Symmetry Nanoporous Crystals from Multiscale Simulations
Chemistry of Materials·2025
Deciphering self-assembly mechanisms of IRMOF-n-inspired three-dimensional cubic-symmetry nanoporous crystals from multiscale simulations
2025
Data-driven Insights on the Impact of Functionalization on Metal-Organic Framework (MOF) Free Energies
2025Open Access
MOFs to Enhance Green NH<sub>3</sub> Synthesis in Plasma Reactors: Hierarchical Computational Screening Enhanced by Iterative Machine Learning
ACS Applied Materials & Interfaces·2024· 6 cited
Diversity-driven, efficient exploration of a MOF design space to optimize MOF properties: application to NH3 adsorption
2024· 1 citedOpen Access
Active learning of alchemical adsorption simulations; towards a universal adsorption model.
2024· 4 citedOpen Access
Active learning of alchemical adsorption simulations; towards a universal adsorption model
Chemical Science·2024· 6 citedOpen Access
Diversity-driven, efficient exploration of a MOF design space to optimize MOF properties
Chemical Science·2024· 20 citedOpen Access
Knowledge Graph Question Answering for Materials Science (KGQA4MAT)
Communications in computer and information science·2024· 3 cited
Metadata for Scientific Experiment Reporting: A Case Study in Metal-Organic Frameworks
Communications in computer and information science·2024· 1 cited
Plasma Radicals as Kinetics-Controlling Species during Plasma-Assisted Catalytic NH <sub>3</sub> Formation: Support from Microkinetic Modeling
ACS Sustainable Chemistry & Engineering·2023· 19 cited
Metadata for Scientific Experiment Reporting: A Case Study in Metal-Organic Frameworks
arXiv (Cornell University)·2023Open Access
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Frequent Co-authors

Omar K. Farha(21), Randall Q. Snurr(19), Joseph T. Hupp(16), Ryther Anderson(15), Perla B. Balbuena(8), Taner Yildirim(7), Timothy C. Wang(6), J. Fraser Stoddart(5), Pravas Deria(5), Peng Li(5), Timur İslamoğlu(4), Nicolaas A. Vermeulen(4), Amy A. Sarjeant(4), Benjamin Schweitzer(4), Xingjie Wang(3), Xuan Zhang(3), Wojciech Bury(3), Joseph E. Mondloch(3), Peyman Z. Moghadam(3), Vaiva Krungleviciute(3)