College Intern – Computational Chemistry & AI/ML

About the role

Join Applied Materials in Singapore as a College Intern working on computational chemistry and AI/ML projects that support the development of next‑generation semiconductor technologies.

Key responsibilities

• Assist in building and running computational chemistry simulations, including preparation of input files, execution of DFT calculations, and analysis of reaction intermediates and transition states.
• Benchmark machine‑learning models against DFT results to evaluate energetics, structures, and reactivity of organic and organometallic molecules.
• Develop and curate chemical datasets, perform data cleaning, feature engineering, and train regression or classification models using Python.
• Collaborate with chemists to interpret modelling outcomes and translate insights into actionable design recommendations.
• Document simulation setups, results, and model performance, and present findings to the research team.

Required profile

• Background in chemistry, chemical engineering, materials science or a related discipline.
• Basic understanding of computational chemistry or quantum chemistry concepts such as DFT.
• Strong analytical thinking, attention to detail, and interest in combining theoretical chemistry with machine‑learning approaches.

Required skills

• Python programming.
• Data‑analysis libraries: NumPy, pandas, scikit‑learn.
• Familiarity with DFT software or quantum‑chemistry tools.
• Experience with machine‑learning frameworks or model development.
• Data cleaning and feature engineering for chemical datasets.

What we offer

• Supportive work culture that encourages learning, development and career growth.
• Health and wellbeing programs, including personal and professional support.
• Opportunities to work on cutting‑edge materials‑science projects in a global leader.