SC32P3 Information Scientist

CAS uses intuitive technology, unparalleled scientific content, and unmatched human expertise to help companies create groundbreaking innovations that benefit the world. As the scientific information solutions division of the American Chemical Society, CAS manages the largest curated reservoir of scientific knowledge, and for over 119 years, has helped innovators mine, assess, and apply that information to keep businesses thriving. The CAS team is global, diverse, and endlessly curious, and strives to make scientific insights accessible to innovators worldwide.

We are seeking a technically strong Information Scientist to advance computational chemistry initiatives within our organization. This role combines deep scientific expertise with software development skills to drive innovation in chemical information processing and molecular modeling. Comfort using AI-assisted tools in scientific workflows is important, as these tools are increasingly central to how we approach chemistry problems.

You will work closely with cross-functional teams of scientists and developers to design scalable solutions and deepen our chemistry domain capabilities.

• →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.

• PhD or Master’s degree in Chemistry, Computational Chemistry, or a related field (candidates with another four-year degree and exceptional experience may be considered).
• 5+ years of experience in computational chemistry or scientific software engineering.
• Strong programming skills in Java, Python, and JavaScript, with familiarity with cheminformatics libraries such as RDKit and Open Babel.
• Comfortable using AI tools (e.g., LLM-based assistants, structure recognition tools) to support scientific and curation work.
• Deep understanding of stereochemistry, coordination chemistry, and molecular modeling.
• Experience with connection table algorithms and chemical structure processing, through development or research work.
• Demonstrated ability to collaborate effectively across scientific and technical teams.
• Strong communication, analytical reasoning, and problem-solving skills.

• Experience evaluating or validating AI-generated outputs (e.g., structure recognition, reaction extraction) against scientific ground truth.
• Curiosity about how AI tools are reshaping chemistry workflows, with a track record of adopting new tools effectively.

CAS offers a competitive salary and comprehensive benefits package, including a generous vacation plan, medical, dental, vision insurance plans, and employee savings and retirement plans. Candidates for this position must be authorized to work in the United States and not require work authorization sponsorship by our company for this position now or in the future. EEO/Minority/Female/Disabled/Veteran