Remote | Computational Chemist (Quantum Chemistry) — Up to $60/hour

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. 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