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4 results in Authors: Shuwen Yue

Physical Chemistry

Discovering Molecular Coordination Environments for Selective Ion Binding Using Machine Learning

Shuwen Yue, Aditya Nandy, Heather Kulik

Version 1 posted 05 July 2023

378

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Theoretical and Computational Chemistry

WS24: A diverse data set for predicting metal-organic framework stability in water and harsh environments with data-driven models

Gianmarco Terrones, Shih-Peng Huang, Matt Rivera, Shuwen Yue, Alondra Hernandez, Heather Kulik

Version 2 posted 24 April 2024

495

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Materials Science

MOFs with the Stability for Practical Gas Adsorption Applications Require New Design Rules

Changhwan Oh, Aditya Nandy, Shuwen Yue, Heather Kulik

Version 1 posted 08 August 2024

214

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Chemical Engineering and Industrial Chemistry

Transferability of data-driven, many-body models for CO2 simulations in the vapor and liquid phases

Shuwen Yue, Marc Riera, Raja Ghosh, Athanassios Panagiotopoulos, Francesco Paesani

Version 1 posted 29 November 2021

305

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1

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