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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

849

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Inorganic Chemistry

Working Paper

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

1,020

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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

664

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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

344

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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

543

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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

798

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1

Citations

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

338

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1

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

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

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

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

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

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

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

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

7 results in Authors: Diego Gomez-Gualdron