STEM Expert – Chemistry & Computational Chemistry (PhD)

Role Title: STEM Expert – Chemistry & Computational Chemistry (PhD)

Role Type: Contractor

Location: Remote (Worldwide)

Job Summary: In this role, you’ll apply your expertise to help train next-generation AI systems. Your work will shape how models learn, reason, and perform through high-quality, real-world input.

Key

Responsibilities:

• Design, evaluate, and critique chemistry and computational chemistry problems, workflows, and reasoning chains to support AI benchmarking initiatives.

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

• Assess and optimize experimental protocols, simulation parameters, and software configurations for accuracy and reproducibility.

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

• Leverage domain knowledge to guide the development and validation of chemistry-related AI models and tools.

• Communicate complex scientific concepts clearly, both in writing and verbally, to technical and non-technical collaborators.

• Document findings, methodologies, and best practices to ensure knowledge transfer across the customer’s team.

Areas of Expertise (we welcome applicants from any of the following):

• Organic synthesis & reaction mechanisms

• Inorganic & organometallic chemistry

• Physical & theoretical chemistry

• Analytical chemistry & spectroscopy

• Computational chemistry & molecular dynamics

• Cheminformatics & drug discovery

• Materials science & polymer chemistry

Required Skills and

Qualifications:

• ��
• PhD in chemistry, computational chemistry, chemical biology, materials science, or a closely related field.

• ��
• Hands-on research lab experience, including wet lab experience for experimental subfields, or extensive simulation-heavy research for computational subfields.

• Deep expertise in at least one of the areas listed above.

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

• Proficiency in Python and/or industry-standard tools in your subfield (e.g., Gaussian, ORCA, Psi4, GROMACS, LAMMPS, RDKit).

• Excellent quantitative, analytical, and scientific reasoning skills.

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

• Track record of rigorous scientific problem-solving in complex chemistry domains.

Preferred

Qualifications:

• ��
• Academic experience (postdoc, research scientist, faculty, or equivalent), strongly preferred.

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

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

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

Originally posted on Himalayas