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

Jiafei Lyu, Xuan Zhang, Zhijie Chen, Ryther Anderson, Xingjie Wang, Megan C. Wasson, Peng Bai, Xianghai Guo, Timur Islamoglu, Diego Gómez-Gualdrón, Omar K. Farha

Version 1 posted 13 August 2019

1,062

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Materials Science

Working Paper

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

Ryther Anderson, Diego Gómez-Gualdrón

Version 1 posted 21 February 2020

828

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1

Citations

Theoretical and Computational Chemistry

Working Paper

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

Ryther Anderson, Achay Biong, Diego Gómez-Gualdrón

Version 1 posted 27 September 2019

876

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Theoretical and Computational Chemistry

Working Paper

Plasma radicals as kinetics-controlling species during plasma-assisted catalytic NH3 formation: support from microkinetic modeling

Tsung-Wei Liu, Fnu Gorky, Maria Carreon, Diego Gomez-Gualdron

Version 1 posted 21 June 2023

389

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Materials Science

Working Paper

Data-driven Insights on the Impact of Functionalization on Metal-Organic Framework (MOF) Free Energies

Fernando Fajardo-Rojas, Ryther Anderson, Mingwei Li, Remco Chang, Diego Gomez-Gualdron

Version 1 posted 17 January 2025

252

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Materials Science

Working Paper

Diversity-driven, efficient exploration of a MOF design space to optimize MOF properties: application to NH3 adsorption

Tsung-Wei Liu, Quan Nguyen, Adji Bousso Dieng, Diego Gomez-Gualdron

Version 1 posted 17 April 2024

767

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Theoretical and Computational Chemistry

Working Paper

Deep Learning Combined with IAST to Screen Thermodynamically Feasible MOFs for Adsorption-Based Separation of Multiple Binary Mixtures

Ryther Anderson, Diego Gómez-Gualdrón

Version 1 posted 26 February 2021

572

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Chemical Engineering and Industrial Chemistry

Working Paper

Active learning of alchemical adsorption simulations; towards a universal adsorption model.

Etinosa Osaro, Fernando Fajardo-Rojas, Gregory Cooper, Diego Gómez-Gualdrón, Yamil Colón

Version 1 posted 08 March 2024

384

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Deciphering self-assembly mechanisms of IRMOF-n-inspired three-dimensional cubic-symmetry nanoporous crystals from multiscale simulations

Katherine Ardila, Tsung-Wei Liu, Diego Gomez-Gualdron, Alexander Pak

Version 1 posted 06 March 2025

83

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9 results in Diego Gomez-Gualdron in Authors: Diego Gomez-Gualdron

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

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

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

Plasma radicals as kinetics-controlling species during plasma-assisted catalytic NH3 formation: support from microkinetic modeling

Data-driven Insights on the Impact of Functionalization on Metal-Organic Framework (MOF) Free Energies

Diversity-driven, efficient exploration of a MOF design space to optimize MOF properties: application to NH3 adsorption

Deep Learning Combined with IAST to Screen Thermodynamically Feasible MOFs for Adsorption-Based Separation of Multiple Binary Mixtures

Active learning of alchemical adsorption simulations; towards a universal adsorption model.

Deciphering self-assembly mechanisms of IRMOF-n-inspired three-dimensional cubic-symmetry nanoporous crystals from multiscale simulations

9 results in Authors: Diego Gomez-Gualdron