Remote Senior Scientist, AI-Driven Materials Modeling

Entegris; Danbury (CT); On-site; USD 101,000 - 126,000; Full time

Benefits offered by this job

401(k) match

Health insurance

Flexible work schedule

11 paid holidays

Paid time off

Education assistance

Job summary

Entegris is seeking a Senior Scientist, Computational Materials Solutions to join our Digital Innovation Team in the Materials Solutions business. This remote role focuses on combining computational science, ML, and domain expertise to guide experimentation and translate research into scalable technologies.

You’ll collaborate with experimental scientists, engineers, and R&D leaders to develop actionable computational approaches, model materials, and support MES programs across the organization.

Qualifications

• MS or PhD in Chemistry, Materials Science, Physics, Engineering, or related field.
• Strong computational materials science and ML background.
• Experience supporting R&D or early-stage technology development.
• Ability to connect computational results to physical mechanisms.
• Experience with validation, uncertainty quantification, and data management.

Responsibilities

• Develop molecular, statistical, and computational solutions to study material behavior and design.
• Support MES programs via AI/ML, predictive simulations, and DoE support.
• Integrate simulation data with experiments to guide prioritization and interpretation.
• Perform calibration, verification, validation, and sensitivity analyses.
• Translate computational outputs into actionable guidance for scientists and leaders.
• Create reusable workflows, docs, and knowledge assets across MES priorities.
• Communicate modeling assumptions and results clearly to technical and non-technical stakeholders.

Skills

Python

NumPy

pandas

scikit-learn

PyTorch

TensorFlow

Mathematical modeling

Machine learning

Education

MS or PhD in Chemistry, Materials Science, Physics, Engineering, or related discipline

Job description

Entegris is seeking a Senior Scientist, Computational Materials Solutions to join our Digital Innovation Team in the Materials Solutions business. This remote role focuses on combining computational science, ML, and domain expertise to guide experimentation and translate research into scalable technologies.

You’ll collaborate with experimental scientists, engineers, and R&D leaders to develop actionable computational approaches, model materials, and support MES programs across the organization.