Diego A. Gómez-Gualdrón

发表

Large-Scale Free Energy Calculations on a Computational Metal–Organic Frameworks Database: Toward Synthetic Likelihood Predictions

Ryther Anderson, Diego A. Gómez-Gualdrón, Ryther Anderson, 2020 .

The materials genome in action: identifying the performance limits for methane storage

Diego A. Gómez-Gualdrón, Maciej Haranczyk, Berend Smit, 2015 .

Structure-Mechanical Stability Relations of Metal-Organic Frameworks via Machine Learning

Diego A. Gómez-Gualdrón, Jelle Wieme, Peyman Z. Moghadam, 2019, Matter.

Exploring the Limits of Methane Storage and Delivery in Nanoporous Materials

Diego A. Gómez-Gualdrón, Randall Q. Snurr, Omar K. Farha, 2014 .

Evaluating topologically diverse metal–organic frameworks for cryo-adsorbed hydrogen storage

Diego A. Gómez-Gualdrón, Randall Q. Snurr, Omar K. Farha, 2016 .

Benchmark Study of Hydrogen Storage in Metal-Organic Frameworks under Temperature and Pressure Swing Conditions

Diego A. Gómez-Gualdrón, Omar K. Farha, Joseph T. Hupp, 2018 .

Computational Design of Metal–Organic Frameworks Based on Stable Zirconium Building Units for Storage and Delivery of Methane

Diego A. Gómez-Gualdrón, Randall Q. Snurr, Omar K. Farha, 2014 .

Topologically Guided, Automated Construction of Metal–Organic Frameworks and Their Evaluation for Energy-Related Applications

Diego A. Gómez-Gualdrón, Randall Q. Snurr, Yamil J. Colón, 2017 .

Role of Pore Chemistry and Topology in the CO2 Capture Capabilities of MOFs: From Molecular Simulation to Machine Learning

Ryther Anderson, Diego A. Gómez-Gualdrón, Edwin Argueta, 2018, Chemistry of Materials.

Material Consequences of Hydrogen Dissolution in Palladium Alloys Observed from First Principles

Diego A. Gómez-Gualdrón, J. Wilcox, P. Psarras, 2019, The Journal of Physical Chemistry C.

Vacancy Healing as a Desorption Tool: Oxygen Triggered Removal of Stored Ammonia from NiO1–x/MOR Validated by Experiments and Simulations

Diego A. Gómez-Gualdrón, J. Jasinski, M. Carreon, 2020 .

Framework-Topology-Dependent Catalytic Activity of Zirconium-Based (Porphinato)zinc(II) MOFs.

Diego A. Gómez-Gualdrón, Omar K Farha, Diego A Gómez-Gualdrón, 2016, Journal of the American Chemical Society.

Noble metal-free catalytic decarboxylation of oleic acid to n-heptadecane on nickel-based metal–organic frameworks (MOFs)

Diego A. Gómez-Gualdrón, Liqiu Yang, M. Carreon, 2017 .

Adsorption Isotherm Predictions for Multiple Molecules in MOFs Using the Same Deep Learning Model.

Diego A. Gómez-Gualdrón, Ryther Anderson, Achay Biong, 2019, Journal of chemical theory and computation.

G-quadruplex organic frameworks.

Diego A. Gómez-Gualdrón, M. Wasielewski, O. Farha, 2017, Nature chemistry.

Molecular Simulation Insights on Xe/Kr Separation in a Set of Nanoporous Crystalline Membranes.

Diego A. Gómez-Gualdrón, Ting Wu, M. Carreon, 2018, ACS applied materials & interfaces.

High-Throughput Experimentation for Selective Growth of Small-Diameter Single-Wall Carbon Nanotubes Using Ru-Promoted Co Catalysts

Diego A. Gómez-Gualdrón, P. Nikolaev, B. Maruyama, 2022, Chemistry of Materials.

Orthogonal Synthesis of Highly Porous Zr-MOFs Assembled from Simple Building Blocks for Oxygen Storage

Diego A. Gómez-Gualdrón, O. Farha, Xuan Zhang, 2019 .

Toward Ideal Metal–Organic Framework Thin-Film Growth via Automated Layer-by-Layer Deposition: Examples Based on Perylene Diimide Linkers

Diego A. Gómez-Gualdrón, J. Hupp, O. Farha, 2022, Chemistry of Materials.

Balancing volumetric and gravimetric uptake in highly porous materials for clean energy

Diego A. Gómez-Gualdrón, J. F. Stoddart, T. Yildirim, 2020, Science.

Hierarchically Engineered Mesoporous Metal-Organic Frameworks toward Cell-free Immobilized Enzyme Systems

Diego A. Gómez-Gualdrón, Nicolaas A. Vermeulen, Abdullah M. Asiri, 2018 .

Elucidating the Nanoparticle–Metal Organic Framework Interface of Pt@ZIF-8 Catalysts

Diego A. Gómez-Gualdrón, J. Hupp, O. Farha, 2017 .

Increasing topological diversity during computational “synthesis” of porous crystals: how and why

Diego A. Gómez-Gualdrón, Ryther Anderson, 2019, CrystEngComm.

Nanosizing a Metal-Organic Framework Enzyme Carrier for Accelerating Nerve Agent Hydrolysis.

Diego A. Gómez-Gualdrón, J. Hupp, S. Harvey, 2016, ACS nano.

Ultrahigh surface area zirconium MOFs and insights into the applicability of the BET theory.

Diego A. Gómez-Gualdrón, Nicolaas A. Vermeulen, Peyman Z. Moghadam, 2015, Journal of the American Chemical Society.

Exploring Pre-Trained Language Models to Build Knowledge Graph for Metal-Organic Frameworks (MOFs)

Diego A. Gómez-Gualdrón, Corey A. Harper, Yuan An, 2022, 2022 IEEE International Conference on Big Data (Big Data).

Bottom-up construction of a superstructure in a porous uranium-organic crystal

Diego A. Gómez-Gualdrón, Nicolaas A. Vermeulen, B. L. Mehdi, 2017, Science.

Dynamic evolution of supported metal nanocatalyst/carbon structure during single-walled carbon nanotube growth.

Diego A. Gómez-Gualdrón, P. Balbuena, J. F. Alvarado, 2012, ACS nano.

Nanocatalyst structure as a template to define chirality of nascent single-walled carbon nanotubes.

Diego A. Gómez-Gualdrón, Jin Zhao, Diego A Gómez-Gualdrón, 2011, The Journal of chemical physics.

Carbon nanotubes: engineering biomedical applications.

Diego A. Gómez-Gualdrón, P. Balbuena, Jiamei Yu, 2011, Progress in molecular biology and translational science.

Effect of Metal Cluster-Cap Interactions on the Catalyzed Growth of Single-Wall Carbon Nanotubes

Diego A. Gómez-Gualdrón, P. Balbuena, 2009 .

The role of cap chirality in the mechanism of growth of single-wall carbon nanotubes

Diego A. Gómez-Gualdrón, P. Balbuena, 2008, Nanotechnology.

Enhancement of the Yield of Ammonia by Hydrogen‐Sink Effect during Plasma Catalysis

Diego A. Gómez-Gualdrón, M. Carreon, Javishk Shah, 2020 .

In silico discovery of metal-organic frameworks for precombustion CO2 capture using a genetic algorithm

Fengqi You, Diego A. Gómez-Gualdrón, Yongchul G. Chung, 2016, Science Advances.

Ultraporous, Water Stable, and Breathing Zirconium-Based Metal-Organic Frameworks with ftw Topology.

Diego A. Gómez-Gualdrón, J. Hupp, O. Farha, 2015, Journal of the American Chemical Society.

Attainable Volumetric Targets for Adsorption-Based Hydrogen Storage in Porous Crystals: Molecular Simulation and Machine Learning

Diego A. Gómez-Gualdrón, Ryther Anderson, Benjamin Schweitzer, 2018, The Journal of Physical Chemistry C.

Dissociation, Dissolution, and Diffusion of Nitrogen on VxFey and VxCry Alloy Membranes Studied by First Principles

Diego A. Gómez-Gualdrón, J. Wilcox, P. Psarras, 2019 .

Application of Consistency Criteria To Calculate BET Areas of Micro- And Mesoporous Metal-Organic Frameworks.

Diego A. Gómez-Gualdrón, Peyman Z. Moghadam, J. Hupp, 2016, Journal of the American Chemical Society.

Discovery of spontaneous de-interpenetration through charged point-point repulsions

Diego A. Gómez-Gualdrón, William R. Dichtel, J. F. Stoddart, 2021, Chem.

Growth of chiral single-walled carbon nanotube caps in the presence of a cobalt cluster

Diego A. Gómez-Gualdrón, P. Balbuena, 2009, Nanotechnology.

Time Dependent Structural Evolution of Porous Organic Cage CC3

Diego A. Gómez-Gualdrón, Ting Wu, M. Carreon, 2018 .

Deep learning combined with IAST to screen thermodynamically feasible MOFs for adsorption-based separation of multiple binary mixtures.

Diego A. Gómez-Gualdrón, Ryther Anderson, 2021, The Journal of chemical physics.

Energetics of Reaction Pathways Enabled by N and H Radicals during Catalytic, Plasma-Assisted NH3 Synthesis

Diego A. Gómez-Gualdrón, M. Carreon, Fnu Gorky, 2022, ACS Sustainable Chemistry & Engineering.

Isoreticular series of (3,24)-connected metal-organic frameworks: Facile synthesis and high methane uptake properties

Diego A. Gómez-Gualdrón, J. Hupp, T. Yildirim, 2014 .

Modular Synthesis of Highly Porous Zr-MOFs Assembled from Simple Building Blocks for Oxygen Storage.

Diego A. Gómez-Gualdrón, O. Farha, Xuan Zhang, 2019, ACS applied materials & interfaces.

Improving Energy Transfer within Metal-Organic Frameworks by Aligning Linker Transition Dipoles along Framework Axis.

Diego A. Gómez-Gualdrón, P. Deria, Wenqian Xu, 2020, Journal of the American Chemical Society.

Characterization of Metal Nanocatalyst State and Morphology during Simulated Single-Walled Carbon Nanotube Growth

Diego A. Gómez-Gualdrón, P. Balbuena, J. Beetge, 2013 .

Characterization of carbon atomistic pathways during single-walled carbon nanotube growth on supported metal nanoparticles

Diego A. Gómez-Gualdrón, P. Balbuena, 2013 .

Effects of Precursor Type on the CVD Growth of Single-Walled Carbon Nanotubes

Diego A. Gómez-Gualdrón, P. Balbuena, J. Burgos, 2013 .

Large-Scale Free Energy Calculations on a Computational MOF Database: Toward Synthetic Likelihood Predictions

Diego A. Gómez-Gualdrón, Ryther Anderson, 2020 .

High-throughput screening of hypothetical metal-organic frameworks for thermal conductivity

Diego A. Gómez-Gualdrón, A. McGaughey, C. Wilmer, 2023, npj Computational Materials.

A self-assembling, biporous, metal-binding covalent organic framework and its application for gas separation

Diego A. Gómez-Gualdrón, B. Parkinson, K. Li-Oakey, 2021, Materials Advances.

Metal-Carbodithioate-Based 3D Semiconducting Metal-Organic Framework: Porous Optoelectronic Material for Energy Conversion.

Diego A. Gómez-Gualdrón, C. Cramer, P. Deria, 2023, ACS applied materials & interfaces.

Impact of the strength and spatial distribution of adsorption sites on methane deliverable capacity in nanoporous materials

Diego A. Gómez-Gualdrón, Cory M. Simon, Richard L. Martin, 2017 .

Stacking of Monolayer Graphene Particles at a Water–Vapor Interface

Diego A. Gómez-Gualdrón, Joseph R. Samaniuk, Ryther Anderson, 2021 .

Understanding Volumetric and Gravimetric Hydrogen Adsorption Trade-off in Metal-Organic Frameworks.

Diego A. Gómez-Gualdrón, Taner Yildirim, J. Hupp, 2017, ACS applied materials & interfaces.

Water-stable zirconium-based metal-organic framework material with high-surface area and gas-storage capacities.

Diego A. Gómez-Gualdrón, J. Hupp, T. Yildirim, 2014, Chemistry.

CO2 adsorption-induced structural changes in coordination polymer ligands elucidated via molecular simulations and experiments.

Diego A. Gómez-Gualdrón, R. Snurr, A. J. Hernández-Maldonado, 2016, Dalton transactions.

A modelling approach for MOF-encapsulated metal catalysts and application to n-butane oxidation.

Diego A. Gómez-Gualdrón, Sean T. Dix, Rachel B. Getman, 2015, Physical chemistry chemical physics : PCCP.

Framework-Topology-Controlled Singlet Fission in Metal-Organic Frameworks.

Diego A. Gómez-Gualdrón, P. Deria, Wenqian Xu, 2023, Journal of the American Chemical Society.

Electronic effects due to organic linker-metal surface interactions: implications on screening of MOF-encapsulated catalysts.

Diego A. Gómez-Gualdrón, Ryther Anderson, Benjamin Schweitzer, 2020, Physical chemistry chemical physics : PCCP.

Implications of sterically constrained n-butane oxidation reactions on the reaction mechanism and selectivity to 1-butanol

Diego A. Gómez-Gualdrón, Sean T. Dix, R. Getman, 2016 .

G-quadruplex organic frameworks.

Diego A. Gómez-Gualdrón, M. Wasielewski, O. Farha, 2017, Nature chemistry.

Dynamic evolution of supported metal nanocatalyst/carbon structure during single-walled carbon nanotube growth.

Diego A. Gómez-Gualdrón, P. Balbuena, J. F. Alvarado, 2012, ACS nano.