Research Assistant (Computational Chemistry)

NANYANG TECHNOLOGICAL UNIVERSITY; Singapore; On-site; SGD 36,000 - 60,000; Full time

Job summary

Nanyang Technological University (NTU) invites applications for a Research Assistant in the School of Chemistry, Chemical Engineering and Biotechnology. The role focuses on computational design of organometallic catalysts and peptide drugs, including mechanism elucidation, machine learning, and MD simulations.

Collaboration across disciplines and access to state‑of‑the‑art facilities are offered. Ideal candidates hold a B.S.

Qualifications

• BS in Chemistry with a focus on computational/peptide/organic/machine learning.
• Strong written and oral communication.
• Experience with Gaussian/Amber/Schrödinger, Python, Bash.

Responsibilities

• Conduct and collaborate on computational chemistry research.
• Participate in project planning, data collection and analysis to generate high-quality results.
• Prepare manuscripts for publication and contribute to grant proposals and reports.
• Report progress in group meetings and with the PI/research fellow.
• Support technology development and knowledge dissemination in the lab.

Skills

Computational chemistry

Python

Machine learning

Data analysis

Communication skills

Education

Bachelor's degree in Chemistry

Tools

Gaussian

Amber

Schrödinger

Job description

School of Chemistry, Chemical Engineering and Biotechnology is a new interdisciplinary school at NTU, inaugurated in August 2022 by integrating the Division of Chemistry and Biological Chemistry from the School of Physical and Mathematical Sciences with the School of Chemical and Biomedical Engineering. It is jointly run by the College of Science and the College of Engineering (https://www.ntu.edu.sg/cceb)

The Huiling Shao (Asst Prof) research group aims toward computational design of new organometallic catalysts and peptide drugs via:

1. Comprehensive mechanism elucidation via computational chemistry, reaction network analysis, and machine learning for organometallic catalytic reactions.

2. Design of membrane-permeable macrocyclic peptide drugs via machine learning structure prediction algorithm and molecular dynamics simulations.

For more details, please view https://www.huilingshaogroup.com/.

We are looking for a Research Assistant to design and execute independent and collaborative research projects, develop novel computational algorithms, and contribute to high-quality publication and grant-related activities. The position offers opportunities to work in a dynamic research environment with access to state-of-the-art facilities and strong interdisciplinary collaborations.

Key Responsibilities:

• Conduct and collaborative research in computational chemistry
• Participate in project planning, data collection and analysis to generate high-quality, reproducible research outcomes
• Prepare manuscripts for publication in high-impact journals and contribute to grant proposals and research reports
• Report on research progress and/or literature update in scheduled group meetings and individual meetings with the PI/research fellow
• Support the overall research mission of the lab by contributing to technology development, knowledge dissemination, and translational opportunities

Job Requirements:

• B.S in Chemistry with a focus on computational/peptide/organic/machine learning or a closely related discipline
• Good written and oral communication skills
• Strong analytical and problem-solving skills with the ability to work independently
• Experience in common computational chemistry software and coding techniques e.g. Gaussian/Amber/Schrödinger/python/bash

We regret that only shortlisted candidates will be notified.