Research and development
STEM Expert – Chemistry & Computational Chemistry (PhD)
Hyper Lychee Labs
New Zealand4 days ago
ContractEntry level
What the role involves
- Designing chemistry problems
- Analyzing chemical data
- Guiding AI models
What they ask for
PhD in chemistry or a related field; hands-on research lab experience or extensive simulation-heavy research; deep expertise in a listed area; professional written and spoken English at C1 or higher; proficiency in Python and/or industry-standard tools in your subfield
- Doctorate
About the job
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.
Applying for this job
What to show on your CV
- It asks for this qualification: Doctorate. Name yours exactly as it's awarded, with the year you finished.
- It names Python, Gaussian, ORCA, Psi4, GROMACS and LAMMPS. Use the same words on your CV for the ones you've used, so a search finds them.
- For the work it describes, like "Designing chemistry problems", give an example from your own experience, with a result you can talk about at an interview.
Our guides to the New Zealand CV format, cover letters and interview questions cover the rest.