Computational Chemist – Quantum Chemistry

24-MAG

Computational chemist designing research-grade quantum chemistry coding tasks for 24-MAG LLC’s remote consulting platform. Developing reference solutions, grading criteria, and reproducible scientific workflows.

Posted 8/25/2026part-timeRemote • New York • 🇺🇸 United StatesMid-LevelSenior💰 $60 per hourWebsite

Core Competencies

Role fit

Core Competencies

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Demonstrates expertise in quantum chemistry and computational chemistry, with strong proficiency in Python and R for developing reproducible scientific workflows and numerical analysis. Capable of translating complex research into well-defined computational tasks while maintaining rigorous documentation and quality standards.

Highest-signal resume keywords

PhD In ChemistryQuantum Chemistry ExpertiseComputational Chemistry ExpertisePython ProgrammingDocker Experience

ATS Keywords

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Applicant Tracking System Keywords

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Hard Skills

Quantum-Mechanical ModellingNumerical CalculationsScientific Code DebuggingData Analysis PipelinesReproducible Scientific ComputingScientific Problem DesignElectronic-Structure CalculationsResearch TranslationValidation ScriptsGrading Criteria Definition

Soft Skills

Strong Written CommunicationCollaboration

Tools & Technologies

GitGitHubDocker

Industry Keywords

Computational ChemistryPhysical ChemistryTheoretical ChemistryScientific Software DevelopmentPeer-Reviewed Publications

Tech Stack

Tools & technologies

DockerPython

About the role

Key responsibilities & impact

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 multi-step computational and chemical reasoning tasks reflecting realistic research workflows
Design scientifically valid problems with reproducible expected outcomes
Develop tasks involving quantum-mechanical modelling of molecular systems and interpretation of electronic-structure calculations
Incorporate modelling assumptions, approximations, numerical considerations, edge cases, and failure modes
Write and validate computational workflows using Python, R, or another relevant scientific programming language
Develop numerical calculations, simulations, analysis pipelines, reference implementations, and validation scripts
Debug scientific code and numerical inconsistencies while ensuring reproducible, scientifically defensible results
Translate research material into clearly specified computational tasks with defined inputs, outputs, assumptions, and constraints
Produce authoritative reference solutions and supporting calculations
Define precise grading criteria that distinguish correct solutions from plausible but flawed approaches
Test tasks against advanced computational systems, analyse failure modes, and refine prompts, datasets, expected outputs, and difficulty
Work through Git/GitHub pull-request workflows
Run and validate code in Docker-based environments
Respond to automated quality checks and reviewer feedback
Maintain clean, reproducible code and documentation
Collaborate through structured software and research workflows

Requirements

What you’ll need

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
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

Benefits

Comp & perks

Part-time independent contractor engagement
Fully remote
20+ hours per week
Initial duration of approximately 6 weeks
Immediate start
Projects may be extended, shortened, or concluded based on project needs and performance