Researcher

Shi Jun Ang is a Scientist at A*STAR’s Institute of High Performance Computing (IHPC) and Institute of Sustainability for Chemicals, Energy and Environment (ISCE2). After completing his PhD studies in computational chemistry at National University Singapore (NUS), he pursued a postdoctoral stint at Massachusetts Institute of Technology, US with Prof Rafael Gomez-Bombarelli. There, he worked on using machine learning techniques to accelerate molecular dynamics for studying challenging chemical reactions. Back at A*STAR, he works at the intersections of AI, cheminformatics, and high-throughput quantum chemistry for sustainable chemistry. Shi Jun also holds an adjunct lectureship position at NUS.
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