Research Fellows
Yang Hui
Senior Research Fellow
B.S. in National University of Singapore (2007)
Ph.D. in National University of Singapore (2012)
Postdoc. in National University of Singapore (2013-present)
Research Interest: Reaction Mechanism and Stereoselectivity in Catalysis, Catalyst Design,
Computational Chemistry Algorithms
Email: yanghui.nus@gmail.com
Anil Kumar Tummanapelli
Senior Research Fellow
M.Sc. in Pondicherry University (2009)
Ph.D. in Indian Institution of Science (2016)
Postdoc in Nanyang Technological University (2016-2017)
Postdoc. in National University of Singapore (2017-present)
Research Interest: Ab initio Molecular Dynamics Simulations, Machine Learning
Email: chmakt@nus.edu.sg
Chen Yingqian
Research Fellow
B.Sc. in Shanghai Jiao Tong University (2013)
Ph.D. in National University of Singapore (2017)
Research Fellow, NUS-ME, NTU-MSE, NUS-CHM.(2017-present)
Research Interests: Computational study for semiconductors and post-Li ion batteries, especially using Density Functional Theory and Molecular Dynamics
Email: chmcyq@nus.edu.sg
Zhou Yujing (Amy)
Research Fellow
B. Sc. (Hons.) in National University of Singapore (2011)
Ph. D. in National University of Singapore (2015)
Research Fellow in National University of Singapore (2020-present)
Research Interest: Computer-aided drug design and development (CADDD), docking and molecular dynamics simulation, protein-protein interaction (PPI)
Email: chmyuji@nus.edu.sg
Wang Lulu
Research Fellow
B.Sc. in Soochow University (2018)
M.Sc. in National University of Singapore (2019)
Ph.D. in National University of Singapore (2023)
Research Interest: Computational study of on-surface synthesis
Email: wanglulu@nus.edu.sg
Graduate Students
Lim Zhen Jia
PhD student
B.Sc. (Hons.) in National University of Singapore (2020)
Research Interest: Excited state computational methods, machine learning molecular representation
Email: limzhenjia@u.nus.edu
Mohammad Firdaus Akmal
PhD student
B.Sc. (Hons) Chemistry at Bandung Institute of Technology (2021)
M.Sc. Organic Chemistry at Bandung Institute of Technology (2022)
Research Interest: Cheminformatics, AI for drug discovery, molecular recognition
Email: firdaus.akmal@u.nus.edu
Huang Ruping
MS student
B.Sc (2023)
M.Sc. in National University of Singpore (2024-present)
Research Interest:
Email: e1349093@u.nus.edu
Undergraduate Students
Darren Teo Zhi Jie
Undergraduate
Undergraduate Student, NUS Chemistry
Research interests:
Email: darrenteozj@u.nus.edu
Ernest Ng Zi Xuan
Undergraduate
Undergraduate Student, NUS Chemistry
Research interests:
Email: ernestngzixuan@u.nus.edu
Chae Jun Han
Undergraduate
Undergraduate Student, NUS Chemistry
Research interests:
Email: junhan.chae@u.nus.edu
Lab Alumni
Visitor
- Associate Professor Wu Qiong (2019-2020), works at Nanjing Institute of Technology
- Dr. Zhu Lihan (2019-2020), works at Northeast Normal University
- Nan Zhihan, MOE-AU Scholar (2018-2019), Ph.D. student at Harvard University
Research Fellow
- Dr. Petar Žuvela (2017-2019), works at Onto Innovation Inc.
- Dr. Zhou Weina (2018), works at Guang Dong University of Technology
- Dr. Kee Choon Wee (2015-2016), works at Institute of Chemical and Engineering Sciences (A*STAR)
- Dr. Wang Li (2009-2010), works at Henan University, China
PhD Student
- Dr. Wang Lulu (2023), works at National University of Singapore
- Dr. Liang Rong (2023), works at Southern University of Science and Technology
- Dr. Ang Shi Jun (2018), works at Institute of High Performance Computing (A*STAR)
- Dr. Guo Jinlong (2017), works at Costello Medical Singapore
- Dr. Xi Yu (2016), works at Wuhan University of Science and Technology
- Dr. Yu Zongrong Wesley (2016), works at Health Science Authority (HSA) Singapore
- Dr. Zhou Yujing (2015), works at National University of Singapore
- Dr. Kee Choon Wee (2014), works at Institute of Chemical and Engineering Sciences (A*STAR)
- Dr. Cao Ye (2013), works at the Intellectual Property Office of Singapore
- Dr. Vu Viet Cuong (2012), works at Hanoi University of Science
- Dr. Yang Hui (2010), works at National University of Singapore
- Dr. Xie Huifang (2010), works at Health Science Authority (HSA) Singapore
- Dr. Cho Bukun (2010), works at Tessa Therapeutics Ltd, Singapore
Master Student
- Huang Ruping (2025)
- Qian Xingran, Zhong Shujing, Wang Xue, Wang Lijin, Liu Chenna, Shi Yanzi (2024)
- Cao Jiaxin, Chen Shiyi, Xiao Lu (2023)
- Chen Mingan, Wang Anfei, Tan Jun Min (2022)
- Yan Tao, Gao Yi (2021)
- Li Mengchun (2020)
- Koh Liang Shun Desmond (2017)
- Wang Wei How Marcus, Tan Kien Wei David (2016)
- Xue Hansong (2015)
- Tan Jin Xing Andrew (2014)
- Eng Xi Xiang Eddy (2013)
- Wong Hong Jin Eugene (2012)
- Luo Shufang (2011)
- Kwa Soo Tin, Chen Pei-Yu (2010)
Bachelor Student
- Chae Jun Han, Ernest Ng Zi Xuan (2025)
- Darren Teo Zhi Jie (2024)
- Chae Jun Han (UROPS), Ernest Ng Zi Xuan (UROPS) (2023)
- Chen Meng-Fu, Miao Jiapei (2022)
- Neo Neng Kai Nigel (2021)
- Lim Zhen Jia (2019)
- Ser Cher Tian (2018)
- Jonathan David, Seet Hua En Ian, Chang Jing (2017)
- Yap Wen Hao, Muhammad Saiful Bohari (2016)
- Peh Kai Qi Elizabeth, Teo Jia Long, Xiong Jiawei (2015)
- Stephen Haniel Yuwono, Muhammad Irsyad Bin Ridzuan, Sharmini Jayasughavanagopal (2014)
- Vo Huynh Phu Khanh Kelvin, Lee Xin Yi, Loh Hui Ying (2013)
- Tan Si Jia Jacqueline, Seet Seok Beng Stella, Teo Way Tiong (2012)
- Tan Fang Yu Sharon, Yu Zongrong Wesley, Kok Sus Fuf (2021)
- Wang Xue Ting, Ng Wei Lin Marilyn, Raditya Prasidha Kristanto (2010)