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Publication date Communities Collections Article title Author(s) Journal/Conference
29 Jul 2026 SERC Institute of Sustainability for Chemicals, Energy and Environment High‐Throughput Screening of Flavan‐3‐Ol Antioxidants Through DFT‐Guided Machine Learning (Pending publish) Zicong Marvin Wong, Ying Sin Koo, Yee Hwee Lim, Dillon W. P. Tay, Shi Jun Ang International Journal of Quantum Chemistry
19 Dec 2025 SERC Institute of Materials Research and Engineering Machine learning-accelerated screening of all-inorganic perovskites for tandem solar cells Chong Guo, Kun Guo, Ziliang Deng, Huacheng Zhang, Kang Li, Zhiyong Liu, Bing Xie, Pu Mao, Chee Kiang Ivan Tan, Kui Yao, Francis Eng Hock Tay Materials Today Energy
16 Dec 2025 SERC Institute of High Performance Computing  Discovery of Effective Halide Solid Electrolytes for Solid-State Rechargeable Batteries via Machine Learning and DFT Calculations Li Yan Anthony Choong, Zhong Chen, Man-Fai Ng ACS Applied Energy Materials
23 Feb 2024 SERC Institute of High Performance Computing  Congested C(sp3)-rich architectures enabled by iron-catalysed conjunctive alkylation Tong-De Tan, Juan M. I. Serviano, Xiaohua Luo, Peng-Cheng Qian, Patrick L. Holland, Xinglong Zhang, Ming Joo Koh Nature Catalysis
17 Dec 2021 SERC Institute of High Performance Computing  First-principles study of surface orientation dependent corrosion of BCC iron Hongmei Jin, Daniel John Blackwood, Ying Wang, Man-Fai Ng, Teck Leong Tan Corrosion Science
7 May 2021 SERC Institute of High Performance Computing  How TeO Defects in the MoVNbTeO Catalyst Material affect the V4+ Distribution. A Computational Study Juan Manuel Arce-Ramos, Alexander Genest, Notker Rösch The Journal of Physical Chemistry C
18 Nov 2019 SERC Institute of Materials Research and Engineering Origin of Anomalous Laminar Cracking, Volume Expansion and Weight Increase of Ti2AlC MAX Phase Powders at 600 oC Zheng Zhang, Hongmei Jin, Doreen Mei Yin Lai, Jianwei Chai, Shijie Wang, Jisheng Pan Corrosion Science