Computational Chemist: AI-Driven Molecular Modeling

Ashland Specialty Ingredients, GP; Bridgewater (MA); On-site; USD 125,000 - 180,000; Full time

Job summary

Ashland Specialty Ingredients, GP is seeking a Computational Chemist in Bridgewater, NJ to advance molecular simulations and data-driven modeling for global R&D. You will work within the Applied Research Group reporting to the Open Innovation Leader, delivering reproducible results and impactful insights.

PhD-level researcher with strong Python skills, QM/MD experience, and a track record of interdisciplinary collaboration will thrive in this role.

Qualifications

• PhD in chemistry or closely related field.
• Experience with modern computational chemistry and molecular simulation methods (QM/MD).
• Strong Python skills and scientific computing proficiency.
• Deep understanding of physical chemistry principles.
• Proven ability to collaborate across cross-disciplinary teams.

Responsibilities

• Design, execute, and analyze molecular simulation to study complex systems relevant to Ashland’s product portfolio.
• Develop AI and machine predictive models.
• Develop, optimize, and automate simulation workflows and analysis protocols.
• Collaborate with scientists and cross-functional teams to translate insights into product design.

Skills

Python

Computational chemistry

Molecular dynamics

Physical chemistry principles

Cross-functional teamwork

Willingness to travel

Education

PhD in chemistry or closely related field

Tools

RDKit

GPU HPC

SLURM

Linux

Job description

Ashland Specialty Ingredients, GP is seeking a Computational Chemist in Bridgewater, NJ to advance molecular simulations and data-driven modeling for global R&D. You will work within the Applied Research Group reporting to the Open Innovation Leader, delivering reproducible results and impactful insights.

PhD-level researcher with strong Python skills, QM/MD experience, and a track record of interdisciplinary collaboration will thrive in this role.