The Shao research group at Nanyang Technological University, Singapore, is seeking a Postdoctoral Research Fellow to join their dynamic team. The group focuses on computational design of new organometallic catalysts and peptide drugs, leveraging advanced computational chemistry, reaction network analysis, and machine learning techniques. Research areas include mechanism elucidation for organometallic catalytic reactions, design of membrane-permeable macrocyclic peptide drugs using AI structure prediction algorithms, and molecular dynamics simulations.

The successful candidate will design and execute independent and collaborative research projects, develop novel computational algorithms, and contribute to high-quality publications and grant-related activities. The position offers access to state-of-the-art facilities and strong interdisciplinary collaborations within the School of Chemistry, Chemical Engineering and Biotechnology, a new interdisciplinary school at NTU.

Applicants should have a PhD in Chemistry (computational, peptide, organic, machine learning, or related fields), at least one first-author publication in peer-reviewed journals, excellent communication skills, strong analytical and problem-solving abilities, experience mentoring students, and proficiency in computational chemistry software (e.g., Gaussian, Amber, Schrödinger) and coding (Python, Bash). The ability to work independently and in teams is essential.

Research keywords include computational chemistry, organometallic catalysis, machine learning, peptide drug design, mechanism elucidation, molecular dynamics, and quantum chemistry. The group collaborates closely with experimental teams to provide mechanistic elucidation, validate catalysts, and accelerate drug candidate design.

To apply, email your CV and a brief (2-page) research statement to [email protected]. For more information, visit the Shao group website. No explicit funding or deadline details are provided.