Computational Scientist, Mass Spectrometry

Build computational tools and scientific AI agents that turn complex mass spectrometry data into molecular identities, quantitative measurements, and insights into drug translation.. Work with experimental scientists to develop reliable analytical workflows and training environments that teach frontier models to reason about chemistry.

• Build computational tools and AI agents for LC-MS/MS feature detection, peak alignment, molecular identification, quantification, and quality control.
• Develop agents that predict molecular fragmentation and identify structures by combining mass spectra, chromatography, UV, and NMR evidence.
• Solve complex mixture analysis problems, including overlapping peaks, background interference, matrix effects, and uncertain compound identities.
• Build reliable workflows for relative and absolute quantification, accounting for calibration, measurement uncertainty, and compound-dependent signal responses.