Associate Editors
Professor, School of Chemical Engineering and Advanced Materials, The University of Adelaide, Adelaide, Australia.
Research Interests: materials; Catalysis; DFT; environment; nanotechnologies
Research Interests: materials; Catalysis; DFT; environment; nanotechnologies
Professor, Department of Chemistry and the Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, Texas, USA.
Research Interests: Machine Learning, computational chemistry, catalysis, transition state theory, density functional theory
Research Interests: Machine Learning, computational chemistry, catalysis, transition state theory, density functional theory
Researcher, Institute of Silicate Science, Chinese Academy of Sciences, Shanghai, China.
Research Interests: System development of intelligent materials scientists, and their application in new material screening and process optimization; Development of computational electrochemistry methods; New material design; Preparation and application of electrochemical energy storage (battery and electrocatalysis) materials
Research Interests: System development of intelligent materials scientists, and their application in new material screening and process optimization; Development of computational electrochemistry methods; New material design; Preparation and application of electrochemical energy storage (battery and electrocatalysis) materials
Director, Sydney AI Centre, University of Sydney, Sydney, Australia.
Research Interests: Trustworthy AI; multi-modality learning; AI for science (electrochemistry).
Research Interests: Trustworthy AI; multi-modality learning; AI for science (electrochemistry).
Professor, Department of Materials Science & Engineering, Yonsei University, Seoul, South Korea.
Research Interests: Density-functional theory; Theoretical surface and interface science; Digital materials design; Artificial/Natural intelligence algorithms for materials optimization
Research Interests: Density-functional theory; Theoretical surface and interface science; Digital materials design; Artificial/Natural intelligence algorithms for materials optimization
Associate Professor, Department of Power Engineering, North China Electric Power University,Baoding, Hebei, China.
Research Interests: AI Agent for energy and catalysis materials; Hydrogen Energy; Digital Hydrogen Database and AI Agent
Research Interests: AI Agent for energy and catalysis materials; Hydrogen Energy; Digital Hydrogen Database and AI Agent
Editorial Board Members
Associate Professor, Chemical & Biomolecular Engineering, University of Nebraska–Lincoln, NE, USA.
Research Interests: electronic-structure theory; ab initio molecular dynamics; computational electrochemistry; electrocatalysis; batteries; data science
Research Interests: electronic-structure theory; ab initio molecular dynamics; computational electrochemistry; electrocatalysis; batteries; data science
Senior Research Scientist, Institute of High Performance Computing, Agency for Science, Technology and Research (A*STAR), Singapore.
Research Interests: Machine Learning; Computational Catalysis; High Throughput; Multiscale Modeling; Materials Science
Research Interests: Machine Learning; Computational Catalysis; High Throughput; Multiscale Modeling; Materials Science
Professor, Department of Chemistry, University of Puerto Rico, Río Piedras Campus, San Juan, Puerto Rico, USA.
Research Interests: Physical chemistry; computational chemistry; nanomaterials science; nanocatalysis; energy storage; energy conversion, green energy
Research Interests: Physical chemistry; computational chemistry; nanomaterials science; nanocatalysis; energy storage; energy conversion, green energy
Professor, College of Chemical Engineering, Beijing University of Chemical Technology, Beijing, China.
Research Interests: Structure descriptor; Catalyst design; Metal nanocatalysts; Electrocatalysts; Petrochemical catalysts
Research Interests: Structure descriptor; Catalyst design; Metal nanocatalysts; Electrocatalysts; Petrochemical catalysts
Associate Professor, Core Research Cluster for Materials Science (CRC‑MS), Advanced Institute for Materials Research, Tohoku University, Sendai, Japan.
Research Interests: Solid Electrolyte; Solid-state Batteries; Ceramics; Mechanical Properties; Al-Assisted Machine Learning
Research Interests: Solid Electrolyte; Solid-state Batteries; Ceramics; Mechanical Properties; Al-Assisted Machine Learning
Associate Professor, Department of Precision Science and Technology, Graduate School of Engineering, Osaka University, Osaka, Japan.
Research Interests: Electronic structure theory; density functional theory; many body perturbation theory; surface science; electrochemistry
Research Interests: Electronic structure theory; density functional theory; many body perturbation theory; surface science; electrochemistry
Associate Professor, Department of Materials Science and Engineering, Seoul National University, Seoul, South Korea.
Research Interests: Energy materials; rational design of novel catalyst; machine learning and data-driven multiscale design
Research Interests: Energy materials; rational design of novel catalyst; machine learning and data-driven multiscale design
Associate Professor, School of Chemical Engineering and Advanced Materials, University of Queensland, Brisbane, Queensland, Australia.
Research Interests: physical and chemical properties of microporous glass materials, realising efficient separation, catalysis and energy applications
Research Interests: physical and chemical properties of microporous glass materials, realising efficient separation, catalysis and energy applications
Professor, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei, Anhui, China.
Research Interests: Machine learning potential energy surface; Chemical Dynamics; Spectroscopy
Research Interests: Machine learning potential energy surface; Chemical Dynamics; Spectroscopy
Professor, School of Engineering, Vanderbilt University, Nashville, United States.
Research Interests: Computational nanocatalysis for CO2 conversion; molecular simulations of chemical separations for carbon capture and critical materials; materials design for advanced batteries and organic-inorganic interfaces; data-driven machine learning discovery of functional ligands and materials
Research Interests: Computational nanocatalysis for CO2 conversion; molecular simulations of chemical separations for carbon capture and critical materials; materials design for advanced batteries and organic-inorganic interfaces; data-driven machine learning discovery of functional ligands and materials
Associate Professor, Department of Materials Science and Engineering, Korea University, Seoul, South Korea.
Research Interests: Active learning; high-entropy alloys; polymeric materials
Research Interests: Active learning; high-entropy alloys; polymeric materials
Professor, Department of chemistry, Sungkyunkwan University, Suwon, South Korea.
Research Interests: Protein misfolding; neurodegenerative disease; machine learning; computational materials science; elctrocatalysts, DFT
Research Interests: Protein misfolding; neurodegenerative disease; machine learning; computational materials science; elctrocatalysts, DFT
Adjunct Professor, KU-KIST Graduate School of Converging Science and
Technology, Korea University, Seoul, South Korea.
Research Interests: Condensed matter physics; DFT; ML; perovskites; MOFs
Research Interests: Condensed matter physics; DFT; ML; perovskites; MOFs
CEO, MatSource Co Itd., Suzhou, Jiangsu, China.
Research Interests: Artificial Intelligence
Research Interests: Artificial Intelligence
Professor, School of Chemistry and Materials Science, Nanjing Normal University, Nanjing, China.
Research Interests: Electrocatalysis; reaction mechanisms; machine learning potential; metarials design
Research Interests: Electrocatalysis; reaction mechanisms; machine learning potential; metarials design
Professor, Norwegian University of Science and Technology, Trondheim, Norway.
Research Interests: Physical metallurgy; solidification; phase transformation; modelling; aluminium alloys
Research Interests: Physical metallurgy; solidification; phase transformation; modelling; aluminium alloys
Professor, College of Chemistry, Fuzhou University, Fuzhou, Fujian, China.
Research Interests: Machine Learning for Catalysis; Data-Driven Catalyst Design; Reaction Dynamics Modeling; Surface Reaction Mechanisms; Heterogeneous Catalysis
Research Interests: Machine Learning for Catalysis; Data-Driven Catalyst Design; Reaction Dynamics Modeling; Surface Reaction Mechanisms; Heterogeneous Catalysis
Professor, Institute of Physics Chinese Academy of Sciences, Beijing, China.
Research Interests: High throughput exploration, physical properties and applications of new metallic materials
Research Interests: High throughput exploration, physical properties and applications of new metallic materials
Professor, Materials Genome Institute, Shanghai University, Shanghai, China.
Research Interests: AI agents for materials design; Autonomous materials discovery; AI-guided high-throughput materials experiment; AI-accelerated materials computation; AI materials design; Feature engineering; LLM-inspired materials design; Materials image analysis
Research Interests: AI agents for materials design; Autonomous materials discovery; AI-guided high-throughput materials experiment; AI-accelerated materials computation; AI materials design; Feature engineering; LLM-inspired materials design; Materials image analysis
Researcher, Gusu Laboratory of Materials, Suzhou, Jiangsu, China.
Research Interests: AI Agent; Material science; First principle calculation; Molecular Dynamics; Solid state electrolytes; Catalysts
Research Interests: AI Agent; Material science; First principle calculation; Molecular Dynamics; Solid state electrolytes; Catalysts
Professor, Skolkovo Institute of Science and Technology, Moscow, Russia.
Research Interests: Crystallography; Physics; Chemistry; Materials Science
Research Interests: Crystallography; Physics; Chemistry; Materials Science
Privatdozent, Department of Materials Design, Institute of Hydrogen Technology, Helmholtz-Zentrum hereon GmbH, Germany.
Research Interests: Claudio Pistidda's research focuses on the design, synthesis, modeling, and comprehensive characterization of advanced functional materials, particularly metal hydrides and compounds of main group and transition metals.
Research Interests: Claudio Pistidda's research focuses on the design, synthesis, modeling, and comprehensive characterization of advanced functional materials, particularly metal hydrides and compounds of main group and transition metals.
Professor, Université Catholique de Louvain, Wallonia, Belgium.
Research Interests: High-throughput ab initio computations; machine-learning; materials properties; databases; energy materials
Research Interests: High-throughput ab initio computations; machine-learning; materials properties; databases; energy materials
Professor, School of materials science and engineering, Zhengzhou university, Zhengzhou, China.
Research Interests: New energy materials and application technology; clean environment technology; nano-clean environment technology; intelligent material design under the guidance of multi-scale material simulation; preparation of new multifunctional materials and devices and electron microscopy analysis of high-resolution materials
Research Interests: New energy materials and application technology; clean environment technology; nano-clean environment technology; intelligent material design under the guidance of multi-scale material simulation; preparation of new multifunctional materials and devices and electron microscopy analysis of high-resolution materials
Professor, School of Materials Science and Engineering and the Institute of Materials Genome Engineering, Shanghai University, Shanghai, China.
Research Interests: Solid-state batteries; Solid electrolytes; Garnets; Computational materials science; Energy engineering; First-principles calculations; Battery materials; Electrode; Solid electrolytes; Garnets, lithium-ion batteries; Rechargeable batteries; Electrode; Electrolyte; Structure-electrochemical property relationship
Research Interests: Solid-state batteries; Solid electrolytes; Garnets; Computational materials science; Energy engineering; First-principles calculations; Battery materials; Electrode; Solid electrolytes; Garnets, lithium-ion batteries; Rechargeable batteries; Electrode; Electrolyte; Structure-electrochemical property relationship
Professor, School of Chemistry, Xi'an Jiaotong University, Xian, Shanxi, China.
Research Interests: Computational chemistry; AI for energy storage materials; electrochemistry; heterogeneous catalysis
Research Interests: Computational chemistry; AI for energy storage materials; electrochemistry; heterogeneous catalysis
Associate Professor, Computational Materials and Catalysis Group, School of Science, Swinburne University of Technology, Melbourne, Australia.
Research Interests: Battery; Computational; Chemistry; CO2; Ammonia; SynthesisHydrogen
Research Interests: Battery; Computational; Chemistry; CO2; Ammonia; SynthesisHydrogen
Professor, School of Materials Science and Engineering, Beihang University, Beijing, China.
Research Interests: Artificial Intelligence Research on Advanced Materials; Computational Materials Science; Semiconductor Materials; High Performance Structural Materials
Research Interests: Artificial Intelligence Research on Advanced Materials; Computational Materials Science; Semiconductor Materials; High Performance Structural Materials
Associate Professor, Department of Computer, North China Electric Power University, Baoding, Hebei, China.
Research Interests: Trustworthy Machine learning; Large Language Models; AI security; AI for Science; Anomaly Detection; Adversarial Attack and Defense
Research Interests: Trustworthy Machine learning; Large Language Models; AI security; AI for Science; Anomaly Detection; Adversarial Attack and Defense
Professor, College of chemical engineering, Zhejiang University of Technology, Hangzhou, China.
Research Interests: Nanocatalytic chemistry; low-dimensional nanomaterials/photocatalytic and solar cells; applications of computational chemistry in catalysis, materials and biology
Research Interests: Nanocatalytic chemistry; low-dimensional nanomaterials/photocatalytic and solar cells; applications of computational chemistry in catalysis, materials and biology
Professor, State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi'an, Shaanxi, China.
Research Interests: First-principles calculations; Solid solution strengthen mechanism; Contributions of surface and interface to mechanism and electrical properties; Thermodynamic and kinetic properties of alloys; Structure characterizations
Research Interests: First-principles calculations; Solid solution strengthen mechanism; Contributions of surface and interface to mechanism and electrical properties; Thermodynamic and kinetic properties of alloys; Structure characterizations
Associate Professor, Department of Chemical Engineering, Tsinghua University, Beijing, China.
Research Interests: Smart city and urban systems development; Multi-scale systems modelling, automation and optimization; Novel machine learning, AI and IoT technologies applied in Energy, Environment and Sustainability related research; Energy and process systems engineering; Life cycle sustainability assessment
Research Interests: Smart city and urban systems development; Multi-scale systems modelling, automation and optimization; Novel machine learning, AI and IoT technologies applied in Energy, Environment and Sustainability related research; Energy and process systems engineering; Life cycle sustainability assessment
Researcher, Institute of Coal Chemistry Chinese Academy of Sciences, Taiyuan, Shanxi, China.
Research Interests: Efficient conversion processes for carbon-containing resources; prediction and development of clean energy conversion materials
Research Interests: Efficient conversion processes for carbon-containing resources; prediction and development of clean energy conversion materials
Professor, Division of Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning, China.
Research Interests: Construction and analysis of heterogeneous catalytic reaction phase diagrams; Development of self-consistent microscopic reaction kinetics models; Application of machine learning in catalyst design; Experimental research on energy and environmental catalysis
Research Interests: Construction and analysis of heterogeneous catalytic reaction phase diagrams; Development of self-consistent microscopic reaction kinetics models; Application of machine learning in catalyst design; Experimental research on energy and environmental catalysis
General Manager, Tencent Holdings Limited, Shenzhen, Guangzhou, China.
Research Interests: Financial AI Agent; large language model; AI for marketing
Research Interests: Financial AI Agent; large language model; AI for marketing
Professor, Institute for Materials Research, Tohoku University, Sendai, Japan.
Research Interests: Machine learning; computational materials science; condensed matter physics
Research Interests: Machine learning; computational materials science; condensed matter physics
Associate Professor, Industrial & Systems Engineering, University of Washington, Seattle, WA, USA.
Research Interests: data-driven optimization methodologies to support strategic and operational planning in power systems management
Research Interests: data-driven optimization methodologies to support strategic and operational planning in power systems management
Professor, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin, China.
Research Interests: Heterogeneous catalysis
Research Interests: Heterogeneous catalysis
Researcher, Changchun Institute Of Applied Chemistry, Chinese Academy Of Sciences, Changchun, Jilin, China.
Research Interests: Fundamentals of Electrochemistry and Intelligent Scientific Instruments
Research Interests: Fundamentals of Electrochemistry and Intelligent Scientific Instruments
Professor, School of Chemical Engineering, Zhengzhou University, Zhengzhou, Henan, China.
Research Interests: Solid-state batteries; Li-air batteries; electrocatalysis; AI for energy; machine learning
Research Interests: Solid-state batteries; Li-air batteries; electrocatalysis; AI for energy; machine learning
All members of the Editorial Board have identified their affiliated
institutions or organizations, along with the corresponding country
or geographic region. OAE Publishing Inc. remains neutral with
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