Senior Scientist, Computational Materials Solutions
About The Position
Entegris is seeking a Senior Scientist, Computational Materials Solutions to join their Digital Innovation Team within the Technology and Innovation organization. This remote position focuses on accelerating innovation by integrating computational science, machine learning, and domain expertise to enhance scientific understanding, guide experimentation, and develop scalable technologies for the Molecular & Engineering Solutions (MES) business unit. The role involves translating business and technology priorities into computational approaches such as molecular and materials modeling, predictive simulation, statistical and hybrid methods, and scientific data analysis. The scientist will collaborate closely with experimental scientists, engineers, R&D leaders, and cross-functional teams to inform materials design, process development, product performance, and next-generation technologies. The ideal candidate possesses strong quantitative skills, a curiosity-driven problem-solving approach, and the ability to connect theory, data, and experimentation.
Requirements
- M.S. or Ph.D. in Chemistry, Materials Science, Physics, Engineering, or related scientific discipline.
- Strong foundation in computational materials science, computational chemistry, molecular modeling, statistics, scientific computing, and simulation.
- Experience supporting research, experimentation, or early-stage technology development.
- Ability to connect computational results to physical or chemical mechanisms and translate those results into practical R&D decisions.
- Working knowledge of model verification, validation, uncertainty quantification, documentation, simulation data management, model reuse, and lifecycle governance.
- Hands-on experience developing computational, simulation, or data-driven solutions using Python and scientific libraries such as NumPy, pandas, scikit-learn, PyTorch, TensorFlow, or related tools.
- Strong collaboration, stakeholder-management, and communication skills with the ability to present complex technical work clearly to scientific, engineering, and business audiences.
Nice To Haves
- 1-3 years of experience in materials science, chemistry, semiconductor, life sciences, energy, or advanced manufacturing R&D.
- Demonstrated success combining experimental data with modeling and AI to guide discovery or development.
- Experience with design-of-experiments (DoE), optimization, or Bayesian methods.
- Familiarity with visualization, notebooks, or technical storytelling for R&D audiences.
- Publications, patents, or significant internal research contributions.
Responsibilities
- Develop and apply molecular, statistical, and computational, chemistry-informed solutions to investigate material behavior, process mechanisms, and guide materials design.
- Support MES product and technology development programs through AI/ML, predictive simulations, structure-property analysis, design-of-experiments support, optimization, and reusable computational workflows.
- Integrate simulation data, experimental results, and domain knowledge to support hypothesis generation, experiment prioritization, and model-based interpretation of R&D results.
- Perform model calibration, verification, validation, sensitivity analysis, and uncertainty quantification to build scientific confidence in computational recommendations.
- Translate computational outputs into actionable guidance for MES scientists, engineers, and leaders, including clear communication of assumptions, limitations, uncertainty, and decision implications.
- Build reusable solution libraries, workflows, documentation, and technical knowledge assets that can be applied across MES priorities and broader Materials Division R&D needs.
- Communicate modeling assumptions, results, and insights clearly to technical and non-technical stakeholders.
- Document methods and results in technical reports, internal publications, and knowledge repositories.
Benefits
- Generous 401(K) plan with an impressive employer match
- Excellent health, dental and vision insurance packages to fit your needs
- Flexible work schedule
- 11 paid holidays a year
- Paid time off (PTO) policy that empowers you to take the time you need to recharge
- Education assistance to support your learning journey
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What This Job Offers
Job Type
Full-time
Career Level
Senior
