Research School of Chemistry, The Australian National University, Canberra, Australia.
Research Interests: solar fuels; batteries; wearables; data-driven materials innovations.
Advanced Institute for Materials Research (WPI-AIMR), Tohoku University, Sendai, Japan.
Research Interests: AI for materials; materials theory; database; digital catalysis.
Department of Chemistry, Fuzhou University, Fuzhou, China.
Research Interests: computational catalysis; dynamics at surface interfaces.
School of Chemistry, Xi’an Jiaotong University, Xi’an, China.
Research Interests: AI for materials; materials theory; database; digital catalysis.
Department of Chemical Physics, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei, China.
Research Interests: Theoretical catalysis; Theoretical modeling; Reaction mechanism; DFT calculations; Machine-learning guided catalysts design.
School of Mathematics and Physics, The University of Queensland, Brisbane, Australia.
Research Interests: materials modelling; density-functional theory; machine learning potentials; molecular dynamics; optoelectronics; quantum technologies.
School of Mechanical, Medical and Process Engineering, Faculty of Engineering, Queensland University of Technology, Brisbane, Australia.
Research Interests: Nanomaterials design; Computational modelling; Sustainable energy harvesting, conversion, and storage.
School of Chemical and Biomedical Engineering, Nanyang Technological University, Singapore.
Research Interests: AI-Driven Energy Chemistry; Theoretical Catalysis; Quantum Chemical Computation; Experimental Data Mining.
School of Vehicle and Mobility, Tsinghua University, Beijing, China.
Research Interests: catalysis; energy; materials; AI.
Institute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR), Singapore.
Research Interests: AI and machine learning for catalysis design; scalable high-throughput computations; multiscale computational heterogeneous catalysis; sustainability and energy.
