Chemist with Python Proficiency - AI Trainer

Key Responsibilities:

• Identify an appropriate computational chemistry package and build problems whose solution hinges on that tool's core capabilities.
• Develop full Python solutions for each problem, providing all necessary input files, molecular geometries, and crystal structure definitions.
• Establish correct numerical output and define tolerance values, then run the problem against the AI model across multiple attempts.

Core Requirements:

• Academic background in Chemistry or a closely related field with at least 2 years of hands-on experience in research, applied work, or teaching.
• Solid Python skills applied to writing and validating computational solutions.
• Excellent written and verbal communication skills in English and ability to work independently in a remote environment.

Nice-to-Have Skills:

• Working knowledge of domain-specific tools like GROMACS, LAMMPS, PySCF, ORCA, xtb, CREST, Quantum ESPRESSO, or AutoDock Vina.
• Prior exposure to how frontier AI models approach complex simulation tasks.
• Familiarity with containerized or sandboxed Linux execution environments.