Search

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

514

Downloads

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

810

Downloads

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

756

Downloads

1

Citations

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

991

Downloads

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

315

Downloads

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

259

Downloads

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

182

Downloads

Refine Search

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

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

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

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

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

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

7 results in Authors: Diego Gomez-Gualdron