Qi-Jun Hong

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Assistant Professor

Arizona State University

United States

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About

Qi-Jun Hong is an Assistant Professor at Arizona State University, USA. His research areas encompass materials science and computational chemistry, with recent articles focusing on the stability and energetics of rare earth compounds and advanced computational methods for predicting material properties. His work includes studies on phase diagrams, thermal expansion, and high-pressure synthesis, contributing significantly to the understanding of material behavior in various applications.

Recent Grants

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Collaborative Research: Rare Earth Materials Under Extreme Conditions

Open Date: 2022-07-01

Close Date: 2026-06-30

Articles (16)

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2025

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2022

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2022

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2022

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2022

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2021

Collaborators (14)

Dustin Gilbert

Associate Professor

University of Tennessee

UNITED STATES

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Sergey Ushakov

Associate Research Professor

Arizona State University

UNITED STATES

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Myungjin Kim

Assistant Professor

Kyungpook National University

SOUTH KOREA

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Axel van de Walle

Brown University

UNITED STATES

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Xinyi Li

Assistant Professor

Clemson University

UNITED STATES

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Pan Xu

Assistant professor

Duke University

UNITED STATES

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Joceline Lega

University of Arizona

UNITED STATES

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Guannan Wang

Associate Professor

College of William and Mary

UNITED STATES

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Alexandra Navrotsky

Arizona State University

UNITED STATES

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David Kraus

Masaryk University

CZECH REPUBLIC

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Lindsay Keegan

Research Assistant Professor

University of Utah

UNITED STATES

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Dean Karlen

Professor

University of Victoria

CANADA

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Linqin Mu

Assistant Professor

Arizona State University

UNITED STATES

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Jacob Bien

Professor

University of Southern California

UNITED STATES

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Qi-Jun Hong

Research Interests

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About

Recent Grants

Articles (16)

Ab initio stability predictions for rare earth oxyphosphates and experimental confirmation of cerium (III) phases

Energetics of high pressure monoclinic Y2O3 and Er2O3 from experiment and computation

Generalized approach for rapid entropy calculation of liquids and solids

Thermal Expansion and Enthalpies of Phase Transformation and Fusion of Er2O3 and Tm2O3 from Experiment and Computation

Materials Properties Prediction (MAPP): Empowering the Prediction of Material Properties Solely Based on Chemical Formulas

Combined experimental and computational assessment of the Li2O${\rm Li}_2{\rm O}$‐La2O3${\rm La}_2 {\rm O}_3$═ZrO2${\rm ZrO}_2$ phase diagram

Interfacial degradation of the NMC/Li<sub>6</sub>PS<sub>5</sub>Cl composite cathode in all-solid-state batteries

High temperature crystal structure prediction from ab initio molecular dynamics with SLUSCHI

Thorium and Rare Earth Monoxides and Related Phases

Computationally Led High Pressure Synthesis and Experimental Thermodynamics of Rock Salt Yttrium Monoxide

A prediction of the thermodynamic, thermophysical, and mechanical properties of CrTaO<sub>4</sub> from first principles

Evaluation of individual and ensemble probabilistic forecasts of COVID-19 mortality in the United States

Melting temperature prediction using a graph neural network model: From ancient minerals to new materials

Integrating computational and experimental thermodynamics of refractory materials at high temperature

Melting temperature prediction via first principles and deep learning

Theoretical prediction of high melting temperature for a Mo–Ru–Ta–W HCP multiprincipal element alloy

Collaborators (14)

Dustin Gilbert

Sergey Ushakov

Myungjin Kim

Axel van de Walle

Xinyi Li

Pan Xu

Joceline Lega

Guannan Wang

Alexandra Navrotsky

David Kraus

Lindsay Keegan

Dean Karlen

Linqin Mu

Jacob Bien

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