Intern - Computational Chemistry

We are offering an internship opportunity for students or early-career researchers interested in computational chemistry, data science, and AI-driven materials discovery. This internship focuses on building structure–property relationships for smart precursor discovery, laying the foundation for future AI projects in advanced materials research.

• Build and curate a machine-readable chemical library.
• Understand key molecular descriptors and their influence on physical/chemical properties.
• Gain experience in computational chemistry workflows and data-driven modeling.
• Apply Python-based data analysis and modeling techniques (Jupyter notebooks).
• Explore the integration of computational chemistry tools with data driven property prediction.

• →Import or create molecular structures and 3D geometries using online databases
• →Collect and organize literature data for relevant physical and chemical properties
• →Data pre-processing and feature engineering/extraction
• →Perform descriptor calculations and analyze correlations with target properties
• →Run DFT calculations on select molecules
• →Develop and refine predictive models for property estimation
• →Document workflows and contribute to internal knowledge base for AI projects

• Master’s student or PhD candidate in Chemical Engineering, Chemistry or related fields (Mechanical Engineering, Materials Science, Applied Physics, or Mathematics with strong chemistry interest).
• Experience with DFT simulations.
• Interest in machine learning and artificial intelligence
• Hands-on experience with Python and Jupyter notebooks.
• Understanding of Python ML scientific libraries and toolkits
• Strong analytical skills and interest in computational chemistry and data driven applications.

• Hands-on experience in computational chemistry and data-driven modeling.
• Practical skills in Python-based data analysis and AI preparation workflows.
• Insight into structure–property relationships and their role in materials discovery.
• Exposure to industry-relevant research and innovation in semiconductor materials.
• Close collaboration with ASM corporate R&D and Chemistry Innovation teams.

We make the tech that enables the chips in devices which improve lives around the world. We do this with an eye to the future, pushing the boundaries of what’s possible through cutting-edge innovation, and driving the next wave of technological breakthroughs that shape how we live, work, and connect.

To learn more about ASM, find us at asm.com and on LinkedIn, Facebook, Instagram, X and YouTube.

ASM is an equal opportunity employer and considers qualified applicants for employment without regard to race, color, religion, age, nationality, social or ethnic origin, sexual orientation, gender, gender identify or expression, marital status, pregnancy, political affiliation, disability, genetic information, veteran status, or any other characteristic protected by law.