A neural recommender system for efficient adsorbent screening

Neural recommender system for the activity coefficient prediction and UNIFAC model extension of ionic liquid‐solute systems

(2021) Guzhong Chen et al.   AICHE JOURNAL

Machine Learning Meets with Metal Organic Frameworks for Gas Storage and Separation

(2021) Cigdem Altintas et al.   Journal of Chemical Information and Modeling

Metal–Organic Frameworks for Xylene Separation: From Computational Screening to Machine Learning

(2021) Zhiwei Qiao et al.   Journal of Physical Chemistry C

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

(2021) Ryther Anderson et al.   JOURNAL OF CHEMICAL PHYSICS

Data Mining for Binary Separation Materials in Published Adsorption Isotherms

(2020) Paul Iacomi et al.   CHEMISTRY OF MATERIALS

Machine Learning in Thermodynamics: Prediction of Activity Coefficients by Matrix Completion

(2020) Fabian Jirasek et al.   Journal of Physical Chemistry Letters

Bayesian design of experiments for adsorption isotherm modeling

(2020) Jayashree Kalyanaraman et al.   COMPUTERS & CHEMICAL ENGINEERING

Understanding the diversity of the metal-organic framework ecosystem

(2020) Seyed Mohamad Moosavi et al.   Nature Communications

Generalized, Adsorbent-Agnostic, Artificial Neural Network Framework for Rapid Simulation, Optimization, and Adsorbent Screening of Adsorption Processes

(2020) Kasturi Nagesh Pai et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Isotherm parameter library and evaluation software for CO2 capture adsorbents

(2020) Seongbin Ga et al.   COMPUTERS & CHEMICAL ENGINEERING

A Collection of More than 900 Gas Mixture Adsorption Experiments in Porous Materials from Literature Meta-Analysis

(2020) Xuqing Cai et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

High-throughput screening of hypothetical aluminosilicate zeolites for CO2 capture from flue gas

(2020) Chao Shi et al.   Journal of CO2 Utilization

Analysis of a Batch Adsorber Analogue for Rapid Screening of Adsorbents for Postcombustion CO2 Capture

(2019) Vishal Subramanian Balashankar et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Development of a general evaluation metric for rapid screening of adsorbent materials for post-combustion CO2 capture

(2019) Karson Leperi et al.   ACS Sustainable Chemistry & Engineering

Gas separation by adsorption: technological drivers and opportunities for improvement

(2019) Pluton Pullumbi et al.   Current Opinion in Chemical Engineering

Hierarchical Bayesian estimation for adsorption isotherm parameter determination

(2019) Chunkai Shih et al.   CHEMICAL ENGINEERING SCIENCE

High-throughput screening approach for nanoporous materials genome using topological data analysis: application to zeolites

(2018) Yongjin Lee et al.   Journal of Chemical Theory and Computation

Combined Natural Gas Separation and Storage Based on in Silico Material Screening and Process Optimization

(2018) Shachit S. Iyer et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Computational screening of MOFs for C 2 H 6 /C 2 H 4 and C 2 H 6 /CH 4 separations

(2016) Cigdem Altintas et al.   CHEMICAL ENGINEERING SCIENCE

Adsorbent Screening for Postcombustion CO2 Capture: A Method Relating Equilibrium Isotherm Characteristics to an Optimum Vacuum Swing Adsorption Process Performance

(2016) Maninder Khurana et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Do adsorbent screening metrics predict process performance? A process optimisation based study for post-combustion capture of CO2

(2016) Ashwin Kumar Rajagopalan et al.   International Journal of Greenhouse Gas Control

Multivariable linear models of structural parameters to predict methane uptake in metal–organic frameworks

(2015) Kutay Berk Sezginel et al.   CHEMICAL ENGINEERING SCIENCE

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

(2015) Cory M. Simon et al.   Energy & Environmental Science

High-throughput computational screening of metal–organic frameworks

(2014) Yamil J. Colón et al.   CHEMICAL SOCIETY REVIEWS

Methane storage in metal–organic frameworks

(2014) Yabing He et al.   CHEMICAL SOCIETY REVIEWS

In silico Design of Porous Polymer Networks: High-Throughput Screening for Methane Storage Materials

(2014) Richard L. Martin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A series of amide functionalized isoreticular metal organic frameworks

(2014) E. Keceli et al.   MICROPOROUS AND MESOPOROUS MATERIALS

High-connected mesoporous metal–organic framework

(2010) Xiaojun Gu et al.   CHEMICAL COMMUNICATIONS

Gas Storage in Nanoporous Materials

(2008) Russell E. Morris et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION