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