Senior Scientist, Digital Chemistry, Isce2

Job Description The Senior Scientist is a pivotal role within the Digital Chemistry Division,specifically tasked with leading the "4. PROBE" stage ofthe AiXL 5P Cycle (Plan, Prepare, Perform, Probe, Predict). The primary objective of this role is to bridge the gap between high-through put analytical hardware and AI-readiness. As AiXL scales its operational capacity with integrated systems like the Agilent Rapid Fire-QT of, the successful candidate will ensure that thousands of reaction outputs are converted into standardized, high-fidelity data. By managing the flow between ultrafast triage and high-resolution validation, this role enables the closed-loop system required for machine learning retraining and the rapid optimization of sustainable chemicals and materials. KeyRoles and Responsibilities Data Standardization & Loop Closure Develop and deploy end-to-end automated workflows to parse and process raw data from high-through put instruments (LC-MS, GC, plate readers). Convert raw analytical outputs into ISCE2 Reaction Database (IRD) compliant schemas to facilitate "5. PREDICT" models. Utilize Python scripting to automate routine data processing (baseline correction, peak integration, normalization) to eliminate manual errors. Workflow & Instrument Management Manage dual-mode workflows, optimizing the transition between RapidFire triage and UHPLC-MS validation to maximize instrument ROI. Maintain the Quality Management System (QMS) and oversee material characterization for Chromatography and Mass Spectrometry domains. Handle equipment calibration, troubleshooting, and routine maintenance for UHPLC-MS, QTof, GC, and GCMS systems. Technical Support & Synergy Familiar with Design of Experiments (DoE) and Bayesian Optimization. Act as a technical bridge between research and support divisions, particularly complementing the ACI Division with specialized digital-analytical workflows. Conduct laboratory personnel training and certify authorized users on analytical in…