We are sharing a specialised part-time consulting opportunity for PhD-level computational chemists with strong expertise in quantum chemistry, scientific programming, numerical modelling, and research-grade computational workflows.
This role focuses on designing original, executable scientific problems grounded in authentic computational chemistry research.
Selected experts will develop challenging coding-based tasks, create rigorous reference solutions and grading criteria, and test and refine problems until they require genuine research-level scientific reasoning.
Key Responsibilities
Computational Chemistry Problem Design
- Develop original research-level problems in computational and quantum chemistry
- Build tasks from published research, public datasets, open-source repositories, or independently designed scientific scenarios
- Create problems requiring multi-step computational and chemical reasoning
- Ensure tasks reflect realistic research workflows rather than textbook exercises
- Design scientifically valid problems with reproducible expected outcomes
Quantum Chemistry
- Develop tasks involving quantum-mechanical modelling of molecular systems
- Create problems requiring interpretation of electronic-structure calculations and related outputs
- Incorporate realistic modelling assumptions, approximations, and numerical considerations
- Design tasks that test genuine understanding of quantum chemistry workflows
- Identify edge cases and failure modes that distinguish expert reasoning from superficial pattern matching
Scientific Computing
- Write and validate computational workflows using Python, R, or another relevant scientific programming language
- Develop numerical calculations, simulations, and analysis pipelines
- Build reference implementations and validation scripts
- Debug scientific code and numerical inconsistencies
- Ensure computational results remain reproducible and scientifically defensible
Research Task Development
- Source appropriate scientific material from papers, datasets, repositories, or original scenarios
- Translate research material into clearly specified computational tasks
- Define inputs, expected outputs, assumptions, and constraints
- Create tasks requiring both coding proficiency and chemistry expertise
- Ensure challenge comes from scientific reasoning rather than unnecessary complexity
Reference Solutions & Grading Criteria
- Produce authoritative reference solutions and supporting calculations
- Define clear criteria describing what constitutes a correct answer
- Identify essential scientific reasoning steps and numerical outputs
- Build evaluation criteria capable of distinguishing correct solutions from plausible but flawed approaches
- Ensure grading logic is precise and reproducible
Testing & Difficulty Calibration
- Test scientific tasks against advanced computational systems
- Analyse common failure modes and weaknesses in generated solutions
- Refine prompts, datasets, and expected outputs based on testing results
- Adjust task difficulty while preserving scientific validity
- Finalise problems only when they reliably require advanced domain expertise
Research Engineering Workflow
- Work through a Git/GitHub pull-request workflow
- Run and validate code within Docker-based environments
- Respond to automated quality checks and reviewer feedback
- Maintain clean, reproducible code and documentation
- Collaborate effectively through structured software and research workflows
Ideal Profile
- PhD required in Chemistry, Physical Chemistry, Theoretical Chemistry, Computational Chemistry, or a closely related field
- Demonstrated expertise in both quantum chemistry and computational chemistry
- Strong working proficiency in Python, R, or another scientific programming language
- Hands-on experience using scientific code for research, simulation, numerical analysis, or molecular modelling
- Comfortable with Git/GitHub
- Experience working with Docker and containerised computational environments
- Strong understanding of reproducible scientific computing
- Ability to translate advanced chemistry research into well-defined computational problems
- Peer-reviewed publications are highly valued
- Prior experience in scientific software development or research engineering is advantageous
- Strong written communication and ability to document scientific assumptions, methods, and solutions precisely
Engagement Details
- Part-time independent contractor engagement
- Fully remote
- 20+ hours per week
- Initial duration of approximately 6 weeks
- Immediate start
- Compensation: Up to $60/hour
- Work includes computational chemistry problem design, scientific coding, reference-solution development, grading criteria, testing, and task refinement
- Projects may be extended, shortened, or concluded based on project needs and performance
- Work must be completed without using confidential or proprietary information belonging to any employer, client, institution, or other third party
- H1-B and STEM OPT support is unavailable for this engagement
About the Platform
- This opportunity is available through 24-MAG LLC.
- We connect experienced professionals with remote consulting opportunities across technical, evaluation, and project-based workstreams.
- By submitting this application, you acknowledge that your information may be processed by 24-MAG LLC for recruitment and opportunity matching in accordance with our Privacy Policy: https://www.24-mag.com/privacy-policy .