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4 results in Authors: Shiyi Qin

Theoretical and Computational Chemistry

Predicting Critical Micelle Concentrations for Surfactants using Graph Convolutional Neural Networks

Shiyi Qin, Tianyi Jin, Reid Van Lehn, Victor Zavala

Version 2 posted 09 April 2021

1,732

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Chemical Engineering and Industrial Chemistry

Identifying Green Solvent Mixtures for Bioproduct Separation Using Bayesian Experimental Design

Shiyi Qin, Surajudeen Omolabake, Aminata Diaby, Jianping Li, Leonardo Gonzalez, Christopher Holland, Victor Zavala, Shannon Stahl, Reid Van Lehn

Version 1 posted 06 September 2024

143

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Theoretical and Computational Chemistry

Capturing Molecular Interactions in Graph Neural Networks: A Case Study in Multi-Component Phase Equilibrium

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

Version 2 posted 23 September 2022

1,784

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Chemical Engineering and Industrial Chemistry

Decoding Optical Responses of Contact-Printed Arrays of Thermotropic Liquid Crystals Using Machine Learning: Detection and Reporting of Aqueous Amphiphiles with Enhanced Sensitivity and Selectivity

Fengrui Wang, Shiyi Qin, Claribel Acevedo-Velez, Reid Van Lehn, Victor Zavala, David Lynn

Version 1 posted 24 February 2023

241

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