Computational Chemometrics Researcher

Responsibilities

• Design, develop, and implement advanced chemometric and hybrid modeling frameworks for chemical and process systems.
• Develop physics- and chemistry-informed machine learning approaches, including Bayesian statistical learning and uncertainty quantification.
• Collaborate with chemists and process engineers to translate physicochemical behavior into structured computational solutions.
• Build robust, scalable, and deployable models capable of handling noisy, sparse, and biased datasets for real-time environments.
• Apply statistical methods to enhance process understanding, detect anomalies, and support root-cause analysis.
• Drive innovation by exploring deep learning for spectroscopy, manifold learning, and probabilistic modeling.
• Contribute to scientific leadership through research publications and the development of intellectual property.

Requirements

• PhD in Applied Statistics, Data Science, Chemometrics, Mathematics, or Engineering.
• Experience in large-scale parameterization and process data modeling.
• Expertise in AI, including reinforcement learning, generative AI, or deep learning.
• Proven experience in both deterministic and stochastic optimization.
• Knowledge of analytical chemistry techniques, specifically chromatography and spectroscopy.
• Strong expertise in multivariate statistical methods and chemometrics.
• Demonstrated ability to communicate complex technical concepts to diverse stakeholders.

Preferred Qualifications

• Experience with design of experiments, general linear modeling, and time series analysis.
• Familiarity with scientific computing environments and cloud-based platforms/workflows.
• A strong track record of publications in chemometrics or applied AI for process modeling.

Benefits

• Opportunity to work at the forefront of the global energy transition.
• Access to continuous professional development and transferable skill growth.
• Collaborative environment with experienced global experts.
• A values-led culture that emphasizes diversity, equity, and inclusion.

About the Company

Shell is a global group of energy and petrochemical companies, employing 96,000 people across more than 70 countries. We are working to become a net-zero emissions energy business by 2050, providing more and cleaner energy solutions through innovation and strategic investment.