Senior Computational Chemist: AI-Driven Molecular Modeling

Ashland; Bridgewater (MA); On-site; USD 120,000 - 180,000; Full time

Job summary

Ashland invites a Computational Chemist to join the Applied Research Group in Bridgewater. You will drive molecular simulations and AI-driven modeling to support Ashland’s product portfolio and digital initiatives. The role emphasizes collaboration with cross-functional teams and clear technical reporting.

The candidate will automate workflows, deliver insights for product design, and contribute to safety and data governance within a global R&D context.

Qualifications

• PhD in chemistry or closely related field; authorized to work in the US.
• Experience with modern computational chemistry and molecular simulation methods (QM/MD).
• Strong Python skills and scientific computing experience.
• Deep understanding of physical chemistry; proven scientific achievements.

Responsibilities

• Design, execute, and analyze molecular simulations for Ashland's product portfolio.
• Develop AI and machine-learning predictive models.
• Automate simulation workflows and analysis pipelines.
• Collaborate with scientists to translate insights into design recommendations.
• Present findings to leadership, teams, and vendors.
• Prepare clear, reproducible technical reports and documentation.

Skills

Python

Computational chemistry

Molecular simulation

QM

MD

Collaboration

Education

PhD in chemistry

Tools

RDKit

Molecular graphs

SLURM

Job description

Ashland invites a Computational Chemist to join the Applied Research Group in Bridgewater. You will drive molecular simulations and AI-driven modeling to support Ashland’s product portfolio and digital initiatives. The role emphasizes collaboration with cross-functional teams and clear technical reporting.

The candidate will automate workflows, deliver insights for product design, and contribute to safety and data governance within a global R&D context.