Shuwen Yue

Assistant Professor

Cornell University

United States

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Articles (12)

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2024

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2023

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2023

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2023

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2023

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2023

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2023

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2022

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2022

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2021

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2021

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2020

Collaborators (7)

Athanassios Panagiotopoulos

Susan Dod Brown Professor

Princeton University

UNITED STATES

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Roberto Car

Princeton University

UNITED STATES

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Aditya Nandy

Assistant Professor of Chemical and Biomolecular Engineering

University of California, Los Angeles

UNITED STATES

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Chunyi Zhang

Princeton University

UNITED STATES

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Michael L. Klein

UNITED STATES

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Xifan Wu

Temple University

UNITED STATES

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Raja Ghosh

University of California, San Diego

UNITED STATES

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Shuwen Yue

Research Interests

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Articles (12)

Metal–Organic Framework Stability in Water and Harsh Environments from Data-Driven Models Trained on the Diverse WS24 Data Set

Why Dissolving Salt in Water Decreases Its Dielectric Permittivity

First-Principles-Based Machine Learning Models for Phase Behavior and Transport Properties of CO2

Dynamics of Aqueous Electrolyte Solutions: Challenges for Simulations

Modeling Chemical Reactions in Alkali Carbonate–Hydroxide Electrolytes with Deep Learning Potentials

Effects of MOF linker rotation and functionalization on methane uptake and diffusion

Discovering Molecular Coordination Environment Trends for Selective Ion Binding to Molecular Complexes Using Machine Learning

Dissolving salt is not equivalent to applying a pressure on water

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

Vapor–liquid equilibrium of water with the MB-pol many-body potential

When do short-range atomistic machine-learning models fall short?

Molecular simulation of liquid–vapor coexistence for NaCl: Full-charge vs scaled-charge interaction models

Collaborators (7)

Athanassios Panagiotopoulos

Roberto Car

Aditya Nandy

Chunyi Zhang

Michael L. Klein

Xifan Wu

Raja Ghosh

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