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.

• 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 listed tools is acceptable if ready to learn independently and 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.
• Submit the task to a senior reviewer in the subfield for feedback to ensure task quality is high.
• Calibrate problems by rewriting molecular geometries, tightening basis sets and convergence thresholds, and observing agent behavior to achieve a pass rate in the 10–30% band.

Please submit your CV in English and indicate your level of English proficiency. Participation is project-based, not permanent employment.