Chemistry & Python Expert - Freelance AI Trainer

Mindrift connects specialists with project-based AI opportunities for leading tech companies, focused on testing, evaluating, and improving AI systems. Participation is project-based, not permanent employment.

• Degree in Chemistry or related field.
• 2+ years of research, applied, or teaching experience.
• Python proficiency for writing reference solutions.
• Fluency with or strong willingness to independently learn at least one scriptable computational chemistry package such as GROMACS, LAMMPS, PySCF, ORCA, xtb, CREST, Quantum ESPRESSO, phonopy, pymatgen, AutoDock Vina, or GNINA.
• Ability to design problems that genuinely require a specialized solver.
• Strong written English (C1+).
• No prior experience with the listed tools is acceptable if ready to learn independently and start quickly.

• Pick an anchor tool and design a problem that hinges on its force fields, integrators, electronic-structure methods, basis sets, or pseudopotential workflows.
• Write a Python reference solution, supply input files and molecular or crystal structure definitions where needed.
• Decide the numerical answer and how close the model needs to get — with a domain-appropriate tolerance — to count as right.
• Test the problem against the model in batches of parallel attempts, tuning the problem difficulty until the agent only succeeds in a small number of attempts.
• Once the task scores within range, it goes to a senior reviewer in your subfield for feedback to ensure task quality is high.
• Tune the problem against batches of parallel runs of the agent, aiming for a pass rate in the 10–30% band by rewriting molecular geometries, tightening basis sets and convergence thresholds, and observing agent behavior.

Please submit your CV in English and indicate your level of English proficiency.