Fernando Fajardo-Rojas

Colorado School of Mines — United States

Chemistry · Physical Sciences

6h-index84citations17works2.32yr avg
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Research Topics

Metal-Organic Frameworks: Synthesis and Applications(9), Machine Learning in Materials Science(6), X-ray Diffraction in Crystallography(4), Catalytic Processes in Materials Science(2), Hydrocarbon exploration and reservoir analysis(2)

Publications17 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
Data-Driven Insights on the Impact of Functionalization on Metal–Organic Framework Free Energies
Chemistry of Materials·2025· 4 cited
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
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
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
Framework-Topology-Controlled Singlet Fission in Metal–Organic Frameworks
Journal of the American Chemical Society·2023· 11 citedOpen Access
Theoretical assessments of Pd–PdO phase transformation and its impacts on H<sub>2</sub>O<sub>2</sub> synthesis and decomposition pathways
Catalysis Science & Technology·2023· 9 citedOpen Access
Exploring Pre-Trained Language Models to Build Knowledge Graph for Metal-Organic Frameworks (MOFs)
2022 IEEE International Conference on Big Data (Big Data)·2022· 7 cited
Novel biosurfactants: Rationally designed surface-active peptides and in silico evaluation at the decane-water interface
Process Biochemistry·2022· 4 cited
Building Open Knowledge Graph for Metal-Organic Frameworks (MOF-KG): Challenges and Case Studies
arXiv (Cornell University)·2022· 6 citedOpen Access
Rationally designed peptides with interfacial activity: A molecular dynamics study at the decane–water interface
2021
Deviation from Equilibrium Thermodynamics of an Asphaltene Model Compound during Compression–Expansion Experiments at Fluid–Fluid Interfaces
Langmuir·2021· 4 cited
Probing Interfacial Structure and Dynamics of Model and Natural Asphaltenes at Fluid–Fluid Interfaces
Langmuir·2020· 22 cited

Frequent Co-authors

Diego A. Gómez‐Gualdrón(13), Ryther Anderson(5), Diego Pradilla(4), Katherine Ardila(4), Óscar Álvarez(3), Joseph R. Samaniuk(2), Yuan An(2), Jane Greenberg(2), Alex Kalinowski(2), Scott McClellan(2), Fernando J. Uribe‐Romo(2), Kyle Langlois(2), Jacob Furst(2), Etinosa Osaro(2), Yamil J. Colón(2), Luis H. Reyes(2), Mingwei Li(2), Remco Chang(2), Andre Niyongabo Rubungo(2), Adji Bousso Dieng(2)