{"id":709,"date":"2021-09-26T12:52:03","date_gmt":"2021-09-26T19:52:03","guid":{"rendered":"https:\/\/faculty.engineering.asu.edu\/hong\/?page_id=709"},"modified":"2026-06-11T21:15:58","modified_gmt":"2026-06-12T04:15:58","slug":"welcome","status":"publish","type":"page","link":"https:\/\/faculty.engineering.asu.edu\/hong\/","title":{"rendered":"Hong Research Group"},"content":{"rendered":"
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Mirror, Mirror, On the Wall<\/a><\/h2>\n\n\n\n
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MeltBench<\/a><\/h2>\n\n\n\n
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SLUSCHI-UP<\/a><\/h2>\n\n\n\n
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Materials Properties Prediction (MAPP)<\/a><\/h2>\n\n\n\n

built<\/i> on experimental data<\/mark>
empowered<\/i> by artificial intelligence<\/mark>
enhanced<\/i> by ab initio calculations<\/mark><\/p><\/h5>\n\n\n\n

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Research<\/a><\/h3>\n\n\n\n

We use quantum mechanics and deep learning for materials design and discovery.<\/p>\n\n\n\n

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News<\/a><\/h3>\n\n\n\n

2026.05.22 We are thrilled to announce the launch of SLUSCHI-UP<\/a>, a free web platform for fully automated melting-temperature prediction from crystal structures using universal machine-learning interatomic potentials. Released alongside MeltBench<\/a>, a benchmark suite for evaluating melting-temperature predictions across multiple universal ML potentials.<\/p>\n\n\n\n

2026.04.29 Paper “Ab initio molecular dynamics prediction and experimental validation of the 14:4 rare-earth oxide-phosphate structure<\/a>” is published in PNAS. <\/p>\n\n\n\n

2026.03.10 We have deployed the online BVS API<\/a>, enabling users to calculate bond valence sum from any cif file. <\/p>\n\n\n\n

2026.02.09 We have deployed the online SLUSCHI API<\/a>, enabling users to access selected SLUSCHI functions without installing the package. <\/p>\n\n\n\n

2026.02.09 Paper “Extending SLUSCHI for automated diffusion calculations<\/a>” is published in Calphad. <\/p>\n\n\n\n

2025.12.01 Congratulations to Audrey on publishing her first paper “Accelerating melting temperature predictions by leveraging LASP machine learning potentials in the SLUSCHI package.<\/a>” in Journal of American Ceramic Society. <\/p>\n\n\n\n

2025.10.16 Paper “Bridging the Gap in Carbon Free Iron Making: How Hydrogen Affects the Reduction of Iron Ore between 900 and 1590 \u00b0C<\/a>” is published in ACS Sustainable Chemistry & Engineering. <\/p>\n\n\n\n

2025.10.4 Paper “Achieving accurate entropy and melting point by ab initio molecular dynamics and zentropy theory: Application to fluoride and chloride molten salts<\/a>” is published in Journal of Molecular Liquids. <\/p>\n\n\n\n

2025.9.16 Qijun has, for the first time, been included in the global ranking of the top 2% of scientists<\/a>. <\/p>\n\n\n\n

2025.9.15 Paper “A computational free energy reference for mechanically unstable phases<\/a>” is published in Calphad. <\/p>\n\n\n\n

2025.4.11 Paper “Ab initio stability predictions for rare earth oxyphosphates and experimental confirmation of cerium (III) phases<\/a>” is published in PNAS. <\/p>\n\n\n\n

2025.3.7 Paper “Energetics of high pressure monoclinic Y2O3 and Er2O3 from experiment and computation<\/a>” is published in Acta Materialia. <\/p>\n\n\n\n

2025.2.15 We are excited to welcome <\/a>Philip from TU Delft in the Netherlands, who will be visiting our group for a three-month training\/collaboration to investigate oxidation rates using DFT-based molecular dynamics.\n\n\n\n

2025.2.5 Paper “Generalized approach for rapid entropy calculation of liquids and solids<\/a>” is published in Physical Review Research. <\/p>\n\n\n\n

2025.1.15 Qijun is featured at Security and Defense Plus<\/a>, its YouTube channel<\/a>, its LinkedIn site<\/a>, ASU Engineering Full Circle<\/a> and website of University of New South Wales at Sydney Australia.<\/a><\/p>\n\n\n\n

2024.10.8 Congratulations to Audrey on passing her candidacy exam! <\/p>\n\n\n\n

2024.10.2 Paper “High temperature crystal structure prediction from ab initio molecular dynamics with SLUSCHI<\/a>” is published in Acta Materialia. <\/p>\n\n\n\n

2024.8.30 Congratulations to Sida on passing his candidacy exam! <\/p>\n\n\n\n

2024.8.26 Qijun is featured in the School of Engineering’s Full Circle<\/a> for receiving the CALPHAD Young Leader Award from the CALPHAD Advisory and Editorial Boards<\/a>. <\/p>\n\n\n\n

2024.8.23 Congratulations to Sida on publishing his first paper “Materials Properties Prediction (MAPP): Empowering the Prediction of Material Properties Solely Based on Chemical Formulas.<\/a>” in Materials. <\/p>\n\n\n\n

2024.5.13 Welcome to new MSE graduate student Dallin Fisher to our Group! <\/p>\n\n\n\n

2024.5.1 Qijun has been awarded the Security & Defence PLuS Seed Grant<\/a>, in collaboration with two researchers from the University of New South Wales in Australia. <\/p>\n\n\n\n

2024.4.23 Paper “Combined experimental and computational assessment of the Li2O-La2O3-ZrO2 phase diagram.<\/a>” is published in Journal of American Ceramic Society. <\/p>\n\n\n\n

2024.4.18 Paper “Thermal Expansion and Enthalpies of Phase Transformation and Fusion of Er2O3 and Tm2O3 from Experiment and Computation<\/a>” is published in Chemistry of Materials. <\/p>\n\n\n\n

2024.4.1 Our melting temperature model<\/a> is now featured by the Materials Project<\/a>. Check out our API for batch calculations<\/a>. <\/p>\n\n\n\n

2024.2.16 Qijun is awarded the CALPHAD Young Leader Award from the CALPHAD Advisory and Editorial Boards<\/a>. <\/p>\n\n\n\n

2024.1.16 Paper “Interfacial degradation of the NMC\/Li6PS5Cl composite cathode in all-solid-state batteries<\/a>” is published in Journal of Materials Chemistry A. <\/p>\n\n\n\n

2023.12.24 Paper “Computationally Led High Pressure Synthesis and Experimental Thermodynamics of Rock Salt Yttrium Monoxide<\/a>” is published in Chemistry of Materials. <\/p>\n\n\n\n

2023.9.29 Qijun is part of the winning team (ASU + UT Austin + NREL) of the DOE Energy Earthshots Initiative. See DoE Press Release<\/a>. <\/p>\n\n\n\n

2023.6.19 Qijun is awarded the inaugural Navrotsky Early Career Award. Read the announcement at ASU News<\/a> and School of Engineering Full Circle<\/a>.<\/p>\n\n\n\n

2023.4.17 Welcome to research scientist Ligen Wang to our Group! <\/p>\n\n\n\n

2023.3.21 Qijun is part of the winning team (UVA+ASU) of the DoD MURI Program in 2023. See DoD Press Release<\/a>. <\/p>\n\n\n\n

2022.12.2 Paper “Integrating computational and experimental thermodynamics of refractory materials at high temperature<\/a>” is published in Calphad. <\/p>\n\n\n\n

2022.9.17 Paper “Melting temperature prediction using a graph neural network model: from ancient minerals to new materials<\/a>” is featured on the ASU Fulton Schools in the News<\/a>, Phys.org<\/a>, along with other news outlets. <\/p>\n\n\n\n

2022.8.31 Paper “Melting temperature prediction using a graph neural network model: from ancient minerals to new materials<\/a>” is published in PNAS. <\/p>\n\n\n\n

2022.8.13 Paper “Melting temperature prediction via first principles and deep learning<\/a>” is published in Computational Materials Science. <\/p>\n\n\n\n

2022.6.1 We are grateful that NSF supports<\/a> our research of materials under extreme conditions.<\/p>\n\n\n\n

2022.4.25 We deploy online here<\/a> a machine learning model that predicts the bulk modulus of materials.<\/p>\n\n\n\n

2022.4.8 Welcome to new ME graduate student Sida Xue to our Group! <\/p>\n\n\n\n

2022.3.26 Welcome to new MSE graduate student Audrey Campbell to our Group! <\/p>\n\n\n\n

2022.3.22 We deploy online here<\/a> a machine learning model that predicts the critical temperature of superconductors.<\/p>\n\n\n\n

2022.1.25 Paper “Evaluation of individual and ensemble probabilistic forecasts of COVID-19 mortality in the US” is published in PNAS. Visit my covid model here<\/a>, one of the best models in forecasting US national fatality.<\/p>\n\n\n\n

2021.11.16 Qijun is nominated as one of the finalists for the Rising Stars in Computational Materials Science<\/a>, organized by Elsevier.<\/p>\n\n\n\n

2021.9.26 We deploy online here<\/a> a machine learning model that predicts melting temperature.<\/p>\n\n\t<\/div>\n\n<\/div>\n\n<\/div>\n\n\t<\/div>\n\n<\/div>\n\n\n\n

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