Job Overview

We are seeking a highly motivated candidate with a PhD in computational or theoretical chemistry to join an interdisciplinary research group working at the interface of supramolecular chemistry and materials science.

The successful candidate will have extensive experience in density functional theory (DFT) and a demonstrated ability to model and analyze metal-seamed architectures and host-guest supramolecular systems. The role involves close collaboration with experimental researchers and contributing to the design and interpretation of complex molecular systems.

Additional responsibilities include:

Actively participating in weekly research group meetings
Providing timely updates and progress reports to the Principal Investigator (PI)
Contributing to an inclusive, collaborative, and supportive research environment

Essential Functions

Perform and interpret DFT calculations on supramolecular systems, including metal-seamed complexes and host-guest assemblies
Collaborate with experimental team members to guide molecular design and understand structure-function relationships
Present findings regularly in group meetings and provide updates aligned with project milestones
Mentor and interact with a diverse group of trainees, including high school students, undergraduates, graduate students, and postdoctoral researchers

Required Education

Bachelor’s Degree. Four (4) years of relevant work experience and/or other specialized training can be used in lieu of education requirement.

Required Experience

PhD in Computational Chemistry, Theoretical Chemistry, or a closely related field
Strong expertise in DFT methods and molecular modeling of complex supramolecular systems
Experience with metal-containing systems and noncovalent interactions is highly desirable
Excellent communication skills and ability to work effectively in a collaborative, multidisciplinary environment

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