26.09.23 Computational Chemistry Postdoc
About the role
The Kostal Research Group at The George Washington University (GWU) is seeking a postdoctoral researcher to join a newly funded multi-institutional project developing computational frameworks for the de novo design of functional and safer chemicals. The GWU team leads the project's physics-based modeling effort, integrating quantum chemistry, molecular simulation, data science, and predictive modeling to develop mechanistically grounded relationships connecting molecular properties with chemical function, toxicity, bioaccumulation, and environmental degradation. The position involves close collaboration with experimental toxicology, AI/design and exposomics teams at partner institutions and provides an opportunity to work at the interface of fundamental computational chemistry, green chemistry, toxicology and emerging AI methods. The position is based at George Washington University, Washington, DC.
Responsibilities
- Develop computational frameworks for de novo design of functional and safer chemicals.
- Integrate quantum chemistry, molecular simulation, data science, and predictive modeling to relate molecular properties to function, toxicity, bioaccumulation, and environmental degradation.
- Analyze chemical or molecular datasets.
- Collaborate closely with experimental toxicology, AI/design, and exposomics teams at partner institutions.
Requirements
- Strong training in computational/theoretical chemistry.
- Experience analyzing chemical or molecular