Senior Scientist, AI-Driven Materials Solutions

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

Benefits offered by this job

Salary: $100,500 - $125,500 per year

401(k) with employer match

Health, dental, and vision insurance

Flexible work schedule

Paid holidays

Education assistance

Values-driven culture

Job summary

Entegris is seeking a Senior Scientist, Computational Materials Solutions to join the Digital Innovation Team within the Technology and Innovation organization of the Materials Solutions (MES) business. This role blends computational science, machine learning, and domain expertise to translate research into scalable technologies for MES.

You will work with experimental scientists and cross-functional teams to develop predictive models, design experiments, and deliver actionable insights for

Qualifications

• MS/PhD in Chemistry, Materials Science, Physics, Engineering, or related field.
• 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 for practical R&D decisions.

Responsibilities

• Develop molecular, statistical and computational chemistry-informed solutions to study material behavior and guide materials design.
• Support MES product and technology development programs through AI/ML, predictive simulations, and design-of-experiments.
• Integrate simulation data with experiments to support hypothesis generation and model interpretation.
• Perform model calibration, verification, validation, and uncertainty quantification.

Skills

Python

Machine learning

Collaboration

Communication

Problem solving

Quantitative analysis

Education

MS/PhD in Chemistry, Materials Science, Physics, or Engineering

Tools

NumPy

Pandas

scikit-learn

PyTorch

TensorFlow

Job description

Entegris is seeking a Senior Scientist, Computational Materials Solutions to join the Digital Innovation Team within the Technology and Innovation organization of the Materials Solutions (MES) business. This role blends computational science, machine learning, and domain expertise to translate research into scalable technologies for MES.

You will work with experimental scientists and cross-functional teams to develop predictive models, design experiments, and deliver actionable insights for