Cheminformatics Data Scientist

Location: Wickliffe, OH or Hazelwood, UK

Job Type: Full-time - 4 days in the office per week required, 1 day flexible.

How You’ll Make an Impact

As a Cheminformatics Data Scientist, you'll be at the forefront of advancing Lubrizol’s mission to design next‑generation polymers, colloids, and surfactant formulations that deliver real‑world impact across consumer and industrial applications. You’ll combine molecular modeling, machine learning, and multi‑scale simulation to accelerate discovery, strengthen predictive understanding, and elevate data‑driven product innovation.

In this role, you will:

Modeling & Simulation:

- Apply atomistic or coarse‑grained molecular dynamics (MD) to study polymers, colloids, surfactants, and soft‑matter systems.

- Build simulation workflows to support structure–property–performance insights.

- Analyze simulation results and relate findings to laboratory measurements.

Cheminformatics & Data Science:

- Use Python, RDKit, and scientific computing tools to generate chemical descriptors and materials datasets.

- Develop or apply ML models (e.g., scikit‑learn, XGBoost) for property prediction and formulation optimization.

- Apply ML/AI to predict key safety endpoints (toxicity, environmental hazards, biodegradation).

- Improve data pipelines, evaluation frameworks, and reproducible workflows using Jupyter, Azure ML, etc.

Cross‑Functional Impact:

- Collaborate with polymer chemists, colloid scientists, toxicologists, and data scientists.

- Support university collaborations, publications, patents, and innovation.

- Stay current on advancements in cheminformatics, modeling, AI, ML, and data engineering.

Required Qualifications that Enable Your Success

- Ph.D. + 2 years industry experience in Computational Chemistry, Polymer Science, Chemical Engineering, Materials Science, or related.

- Strong experience with ML and data science tools (scikit‑learn, JMP, Pandas, Azure AutoML, TensorFlow, RDKit).

- Hands‑on experience with MD simulations (LAMMPS, GROMACS, OpenMM, or mesoscale methods).

- Strong Python skills (NumPy, Pandas, Jupyter).

- Experience with ML/cheminformatics toolkits.

- Strong communication and interdisciplinary collaboration skills.

- Demonstrated research record.

Preferred Qualifications that Drive You Forward

- Experience with coarse‑graining, DPD, or mesoscale simulation.

- Experience with structure–property or process–structure–performance models.

- Familiarity with data engineering, database integration, cloud warehousing.

- Knowledge of QSAR, read‑across, and ML‑based toxicity prediction.

- Exposure to HPC or workflow automation.

- Familiarity with agentic AI, generative AI, and formulation optimization tools.

- Understanding of polymer chemistry, surfactant behavior, colloid science.

- Interest in bridging atomistic and mesoscale to continuum modeling.

- Strong interest in computational science for formulation design.

Your Work Environment

At Lubrizol, we’re committed to providing a safe, inclusive, and empowering environment where you can do your best work—whether on the production floor, in a lab, or in an office setting. Depending on your role, your environment may include:

• Standing, walking, or overseeing operations for extended periods
• Working in a chemical or manufacturing environment with required PPE
• Use of computers and digital tools in an office or hybrid setting
• Occasional lifting or movement of materials
• Strict adherence to rigorous safety protocols and ergonomic standards

We consistently invest in our facilities and technologies to support your well‑being, productivity, and growth. If you require reasonable accommodation, we are committed to providing an inclusive and accessible experience.

Benefits that Empower You

• Work in a respected, industry-leading multinational company within Berkshire Hathaway
• A culture of accountability, empowerment, inclusion, and diversity
• Competitive compensation and benefits package
• Opportunities for professional development, learning, and global career mobility
• Meaningful work contributing to sustainable and innovative chemical solutions

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Lubrizol: Imagined for Life. Enabled by Science. ™ Delivered by You.

For nearly 100 years, The Lubrizol Corporation, a Berkshire Hathaway company, has been at the forefront of innovation to enhance everyday life, advance mobility, and make the modern world work better. Our specialty chemistry solutions—from engine oils, performance coatings, and skincare to medical devices and plumbing systems —are powered by the expertise, passion, and commitment of people like you. We tackle the world’s toughest challenges with science-based solutions, deeply understanding our customers to deliver innovative chemistry and differentiated value. Our inclusive culture, dedication to safety, and incredible global talent drive our success. Our solutions meet the evolving needs of the modern world—brought to life by science and, most importantly, delivered by you. Whether you're in the lab, on the production floor, or in the office, you'll be part of a team around the world that empowers you to think boldly, drive results, and contribute to solutions that shape a better, more sustainable future. 

We win because of you. Let’s build the future together.