Computational Chemistry Postdoc: AI-Driven Chemical Design

Computational Chemistry List Home; Waltham (MA); On-site; USD 55,000 - 70,000; Full time

Job summary

The Kostal Research Group at George Washington University seeks a Postdoctoral Research Associate to advance computational chemistry, ML, and chemical design for safer, functional molecules. You will work at the interface of theory and data-driven methods with partners across institutions.

The ideal candidate has a PhD in computational chemistry, strong quantitative skills, and an interest in interdisciplinary, mentorship-oriented research in a collaborative setting.

Qualifications

• PhD in computational chemistry or closely related field.
• Strong background in molecular simulations and electronic-structure methods.
• Experience with machine learning or AI-enabled molecular design is desirable.
• Ability to work collaboratively across institutions.

Responsibilities

• Develop computational frameworks for de novo chemical design.
• Combine quantum chemistry, molecular simulations and data science.
• Collaborate with experimental toxicology and AI teams.

Skills

Computational chemistry

Machine learning

Quantitative analysis

Interdisciplinary research

Education

PhD in computational chemistry

Tools

Quantum chemistry software

Job description

The Kostal Research Group at George Washington University seeks a Postdoctoral Research Associate to advance computational chemistry, ML, and chemical design for safer, functional molecules. You will work at the interface of theory and data-driven methods with partners across institutions.

The ideal candidate has a PhD in computational chemistry, strong quantitative skills, and an interest in interdisciplinary, mentorship-oriented research in a collaborative setting.