Computational Chemistry Information Scientist (AI-Driven)

Chemical Abstracts Service; Columbus (OH); On-site; USD 120,000 - 160,000; Full time

Job summary

Chemical Abstracts Service (CAS), the information science arm of the American Chemical Society, seeks an Information Scientist in Columbus, OH to advance computational chemistry initiatives and expand capabilities in chemical data processing and AI-assisted workflows.

You will work with cross-functional scientists and developers to design scalable solutions, applying stereochemistry and molecular modeling techniques while staying current with AI advances in chemistry.

Qualifications

• PhD or Master's in Chemistry, Computational Chemistry, or related field.
• 5+ years of experience in computational chemistry or scientific software engineering.
• Strong programming skills in Java, Python, and JavaScript; familiarity with cheminformatics libraries such as RDKit and Open Babel.
• Comfortable using AI tools to support scientific and curation work.
• Deep understanding of stereochemistry, coordination chemistry, and molecular modeling.

Responsibilities

• Apply computational chemistry techniques to model stereochemistry, coordination chemistry, and molecular interactions.
• Design and implement reusable frameworks for chemical data processing, search, and visualization.
• Use AI-assisted tools and approaches to support chemical structure recognition, reaction analysis, and related curation workflows.
• Stay current on emerging AI capabilities relevant to chemistry and assess their fit and accuracy for specific scientific applications.
• Collaborate with product owners, subject matter experts, and developers to groom backlogs and deliver solutions in Agile environments.
• Contribute to a culture of scientific rigor, collaboration, and continuous learning across the team.

Education

PhD in Chemistry (preferred)

PhD in Computational Chemistry (preferred)

Master of Science in Chemistry (preferred)

Master of Science in Computational Chemistry (preferred)

Bachelor of Science in Chemistry (required)

Bachelor of Science in Computational Chemistry (required)

Tools

Java

Python

JavaScript

RDKit

Open Babel

AI tools

Job description

Chemical Abstracts Service (CAS), the information science arm of the American Chemical Society, seeks an Information Scientist in Columbus, OH to advance computational chemistry initiatives and expand capabilities in chemical data processing and AI-assisted workflows.

You will work with cross-functional scientists and developers to design scalable solutions, applying stereochemistry and molecular modeling techniques while staying current with AI advances in chemistry.