Chemist with Python – AI Trainer (Remote)

About the role

We are building a talent pool of chemistry professionals with strong Python skills to design and run AI‑training tasks that evaluate frontier AI models on computational chemistry problems. The role is fully remote and ideal for chemists who enjoy deep technical problem‑solving and want to apply their expertise to cutting‑edge AI development.

Key responsibilities

• Identify and select an appropriate computational chemistry package and create problems that rely on its core capabilities (force fields, integrators, electronic‑structure methods, etc.).
• Develop complete Python solutions for each problem, including all input files, molecular geometries, and crystal‑structure definitions.
• Define correct numerical outputs and tolerance thresholds, then run the tasks against AI models across multiple parallel attempts.
• Analyze model performance, adjust difficulty, and tune geometries, basis sets, and convergence criteria to achieve a target pass rate of 10‑30%.
• Hand off completed tasks to a senior reviewer, incorporate feedback, and prepare final submissions.

Required profile

• Academic background in Chemistry or a closely related field.
• Minimum 2 years of hands‑on experience in chemistry research, applied work, or teaching.
• Strong Python programming skills applied to computational solutions.
• Ability to design problems that cannot be solved without specialized computational chemistry software.
• Excellent written and verbal communication in English.
• Self‑motivated and able to work independently in a fast‑paced remote environment.

Required skills

• Python
• Computational chemistry software (e.g., GROMACS, LAMMPS, PySCF, ORCA, xtb, CREST, Quantum ESPRESSO, phonopy, pymatgen, AutoDock Vina, GNINA)
• Linux containerised or sandboxed execution environments

What we offer

• Competitive pay in USD
• Fully remote work arrangement
• Better Me Fund for personal growth and passions
• Community focused on social good and compassionate collaboration