Job Description: STEM Expert – Chemistry & Computational Chemistry (PhD)

Role Type: Contractor
Location: Remote (Worldwide)

About the Role

We are seeking PhD-level Chemistry and Computational Chemistry Experts to contribute their scientific expertise to the development and evaluation of next-generation AI systems.

In this role, you will apply your research and domain knowledge to assess chemistry-related problems, workflows, and scientific reasoning. Your contributions will help improve AI systems' ability to understand complex chemical concepts, analyze scientific data, and solve advanced chemistry challenges.

This opportunity is suitable for experts with strong research backgrounds in experimental or computational chemistry. Prior AI experience is not required.

Key Responsibilities

• Design, evaluate, and critique chemistry and computational chemistry problems, workflows, and reasoning processes for AI benchmarking.

• Provide expert insights into reaction mechanisms, synthesis planning, spectroscopy analysis, molecular simulations, and electronic structure methods.

• Review and optimize experimental protocols, simulation parameters, and software configurations to ensure accuracy and reproducibility.

• Analyze chemical, spectroscopic, and simulation data and provide actionable recommendations.

• Apply domain expertise to guide the development and validation of chemistry-focused AI models and tools.

• Explain complex scientific concepts clearly to both technical and non-technical collaborators.

• Document research findings, methodologies, and best practices to support knowledge sharing and collaboration.

Areas of Expertise

Applicants with expertise in one or more of the following areas are encouraged to apply:

• Organic Synthesis and Reaction Mechanisms

• Inorganic and Organometallic Chemistry

• Physical and Theoretical Chemistry

• Analytical Chemistry and Spectroscopy

• Computational Chemistry and Molecular Dynamics

• Cheminformatics and Drug Discovery

• Materials Science and Polymer Chemistry

Required Skills and Qualifications

• PhD in Chemistry, Computational Chemistry, Chemical Biology, Materials Science, or a closely related field.

• Hands-on research laboratory experience, including wet-lab experience for experimental specializations or extensive simulation-based research for computational specializations.

• Deep expertise in at least one of the listed chemistry domains.

• Professional written and spoken English proficiency (C1 level or higher).

• Proficiency in Python and/or relevant industry-standard tools, such as Gaussian, ORCA, Psi4, GROMACS, LAMMPS, or RDKit.

• Excellent quantitative, analytical, and scientific reasoning skills.

• Strong written and verbal communication abilities, with the ability to document and explain complex technical concepts.

• Demonstrated experience solving challenging scientific problems in specialized chemistry domains.

Preferred Qualifications

• Academic or research experience as a Postdoctoral Researcher, Research Scientist, Faculty Member, or in an equivalent position.

• Peer-reviewed publications, patents, or contributions to open-source scientific software.

• Experience with AI/ML-assisted chemistry workflows or benchmarking initiatives.

• Background in drug discovery, reaction prediction, or retrosynthesis.