Computational Chemistry Problem Designer (PhD Required)

About OpenTrain

OpenTrain is a central place to find data-labeling and AI-training jobs. We aggregate opportunities from many AI companies and labeling platforms so contributors can discover this work in one place instead of hunting across dozens of sites.

Creating an OpenTrain account is free and applying takes only a few minutes. We connect specialists and researchers with short-term, project-based work that helps train modern AI systems.

About AI Training Work

AI training (also called data labeling, annotation, or human feedback work) is the human side of building intelligent systems. For scientific and coding domains this often means crafting high-quality problem statements, writing and validating code, and producing ground-truth solutions that models can learn from and be evaluated against.

This role sits at the intersection of computational science and AI training: your problems will be used to teach and evaluate models that need research-level reasoning in chemistry and molecular modelling.

The Role

We are hiring computational chemistry problem designers to create original, research-grade problems that require advanced reasoning in physical chemistry, quantum chemistry, and molecular modelling.

Work is project-based and part-time (contractor). Tasks require writing problem statements, producing comprehensive and fully verified solutions, and using Python plus computational chemistry libraries to validate results. Problems must model authentic research workflows and should not be easily solvable by hand.

• Employment type: Contractor, Part-time
• Time commitment: 20+ hours/week
• Data type: COMPUTER_CODE_PROGRAMMING; label types include COMPUTER_PROGRAMMING_CODING and EVALUATION_RATING
• Labeling software: OTHER

What You'll Do

Design and author original computational chemistry problems that reflect real research workflows and require computational solutions.

Develop complete, research-grade solutions and verification pipelines using Python and appropriate computational chemistry libraries.

Annotate or review code and results to ensure reproducibility and correctness; prepare clear problem documentation suitable for model training and human evaluation.

• Write precise problem statements and expected outputs
• Produce fully verified, reproducible solution code (Python) and validation notes
• Ensure problems are not trivially solvable by hand and require computational methods
• Perform code annotation or review to support dataset quality and evaluation

Requirements

You must meet every substantive qualification below to be considered. We will verify credentials and past work.

Submit a CV in English that indicates your level of English proficiency and includes an email address and phone number.

• PhD in chemistry or a closely relevant field (required)
• 3+ years of hands-on computational chemistry experience (specified twice in posting)
• Strong expertise in physical chemistry and quantum chemistry at research level
• Proficient in Python and familiar with computational chemistry libraries
• Experience developing research problems and strong scientific writing skills
• Hands-on code annotation or review experience and reproducible workflows

Compensation & Time Commitment

This is a part-time, project-based contractor role. Compensation is linked to the complexity and expertise demanded by each task.

Pay range: $15–$60 per hour depending on task complexity; top tasks may pay up to $60/hr. Exact payment terms are set per project.

• Typical commitment: 20+ hours per week
• Payment: hourly (PAY_PER_HOUR), USD

How To Apply

Apply through OpenTrain with your English CV and examples of relevant work (problem sets, solution code, or publications). Your CV must state your English proficiency level and include an email address and phone number.

Because this is contractor work tied to sensitive model training, selected applicants will be contacted with project specifics and engagement terms.

• Include sample problems or links to code/research demonstrating your computational chemistry expertise
• List relevant libraries and tools you use for validation (e.g., Psi4, PySCF, RDKit, ASE, etc.)

Restricted Locations

Candidates located in any of the following territories are restricted from acquisition for this role and should not apply: Iran, Cuba, North Korea, Syria, Sudan, Venezuela, Myanmar, Russia, Belarus, Palestine, Switzerland, China, Taiwan, Kenya, States of the USA: Alaska, Arkansas, California, Connecticut, Delaware, Georgia, Hawaii, Illinois, Indiana, Kansas, Louisiana, Maine, Maryland, Massachusetts, Nebraska, Nevada, New Hampshire, New Jersey, New Mexico, Ohio, Oregon, Tennessee, Utah, Vermont, Washington, West Virginia, Antarctica, Aruba, Åland Islands, Saint Barthélemy, Bonaire, Sint Eustatius and Saba, Bouvet Island, Cocos (Keeling) Islands, Democratic Republic of the Congo, Cook Islands, Christmas Island, Western Sahara, Falkland Islands (Malvinas), French Guiana, Guadeloupe, South Georgia and the South Sandwich Islands, Heard Island and McDonald Islands, British Indian Ocean Territory, Northern Mariana Islands, Martinique, New Caledonia, Norfolk Island, Niue, French Polynesia, Saint Pierre and Miquelon, Pitcairn, Réunion, Saint Helena, Ascension and Tristan da Cunha, Svalbard and Jan Mayen, Sint Maarten (Dutch part), French Southern Territories, Tokelau, United States Minor Outlying Islands, Holy See, Virgin Islands (British), Wallis and Futuna, Mayotte.