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Capturing molecular interactions in graph neural networks: a case study in multi-component phase equilibrium

Graph neural networks (GNNs) have been widely used for predicting molecular properties, especially for single molecules. However, when …

Shiyi Qin, Shengli Jiang, Jianping Li, Prasanna Balaprakash, Reid C Van Lehn, Victor M Zavala

Capturing molecular interactions in graph neural networks: a case study in multi-component phase equilibrium

Online Characterization of Mixed Plastic Waste Using Machine Learning and Mid-Infrared Spectroscopy

To recycle the mixed plastic wastes (MPW), it is important to obtain the compositional information online in real time. We present a …

Fei Long, Shengli Jiang, Adeyinka Gbenga Adekunle, Victor M Zavala, Ezra Bar-Ziv

Online Characterization of Mixed Plastic Waste Using Machine Learning and Mid-Infrared Spectroscopy

Sensing Gas Mixtures by Analyzing the Spatiotemporal Optical Responses of Liquid Crystals Using 3D Convolutional Neural Networks

We report how analysis of the spatial and temporal optical responses of liquid crystal (LC) films to targeted gases, when performed …

Nanqi Bao, Shengli Jiang, Alexander D Smith, James J Schauer, Manos Mavrikakis, Reid C Van Lehn, Victor M Zavala, Nicholas L Abbott

Sensing Gas Mixtures by Analyzing the Spatiotemporal Optical Responses of Liquid Crystals Using 3D Convolutional Neural Networks

Accurate Characterization of Mixed Plastic Waste Using Machine Learning and Fast Infrared Spectroscopy

We present a combination of convolutional neural network (CNN) framework and fast MIR (mid-infrared spectroscopy) for classifying …

Stas Zinchik, Shengli Jiang, Soren Friis, Fei Long, Lasse Hogstedt, Victor M Zavala, Ezra Bar-Ziv

Accurate Characterization of Mixed Plastic Waste Using Machine Learning and Fast Infrared Spectroscopy

Using ATR-FTIR spectra and convolutional neural networks for characterizing mixed plastic waste

We present a convolutional neural network (CNN) framework for classifying different types of plastic materials that are commonly found …

Shengli Jiang, Xu Zhuo, Medhavi Kamran, Stas Zinchik, Sidike Paheding, Armando G McDonald, Ezra Bar-Ziv, Victor M Zavala

Using ATR-FTIR spectra and convolutional neural networks for characterizing mixed plastic waste

Convolutional neural nets in chemical engineering: Foundations, computations, and applications

In this article, we review the mathematical foundations of convolutional neural nets (CNNs) with the goals of (i) highlighting …

Shengli Jiang, Victor M Zavala

Convolutional neural nets in chemical engineering: Foundations, computations, and applications

Using machine learning and liquid crystal droplets to identify and quantify endotoxins from different bacterial species

Detection and quantification of bacterial endotoxins is important in a range of health-related contexts, including during …

Shengli Jiang, JungHyun Noh, Chulsoon Park, Alexander D Smith, Nicholas L Abbott, Victor M Zavala

Using machine learning and liquid crystal droplets to identify and quantify endotoxins from different bacterial species

Fast predictions of liquid-phase acid-catalyzed reaction rates using molecular dynamics simulations and convolutional neural networks

The rates of liquid-phase, acid-catalyzed reactions relevant to the upgrading of biomass into high-value chemicals are highly sensitive …

Alex K Chew, Shengli Jiang, Weiqi Zhang, Victor M Zavala, Reid C Van Lehn

Fast predictions of liquid-phase acid-catalyzed reaction rates using molecular dynamics simulations and convolutional neural networks

Highly compact, free-standing porous electrodes from polymer-derived nanoporous carbons for efficient electrochemical capacitive deionization

Electrochemical capacitive deionization (CDI) is a promising technology for distributed and energy-efficient water desalination. The …

Fei Ji, Li Wang, Jason Yang, Xu Wu, Mingqian Li, Shengli Jiang, Shihong Lin, Zheng Chen

Scalable synthesis of uniform nanosized microporous carbon particles from rigid polymers for rapid ion and molecule adsorption

Porous carbon materials are of great importance for many applications such as energy storage, catalysis, and adsorption. Rational …

Fei Ji, Yang Shi, Mingqian Li, Shengli Jiang, Gen Chen, Fang Liu, Zheng Chen