AI Chemistry Scientist (PhD) — Benchmarking & Modeling

OpenTrain AI, Inc.; United States; Remote; USD 62,000 - 124,000; Part time

Job summary

OpenTrain AI, Inc. seeks a STEM Expert in Chemistry and Computational Chemistry on a part-time contract to advance AI systems through chemistry problem-solving and rigorous review.

You will work on experimental and computational chemistry, assess mechanisms and simulations, and document methods and best practices for knowledge transfer. Applicants must hold a PhD in chemistry or related field, be fluent in English, and proficient with tools like Gaussian, ORCA, Psi4, GROMACS, LAMMPS, and RDKit.

Qualifications

• PhD in chemistry or related field.
• Hands-on wet-lab or simulation research experience preferred.
• Proficiency in Python and scientific software.

Responsibilities

• Evaluate and improve AI systems using chemistry problem-solving and technical review.
• Assess reaction mechanisms, synthesis planning, spectroscopy analysis, molecular simulations, and electronic structure methods.
• Review experimental protocols, simulation parameters, and software configurations for accuracy and reproducibility.
• Analyze chemical, spectroscopic, and simulation data and provide actionable recommendations.
• Help develop and validate chemistry-related AI models and tools.
• Document methods, findings, and best practices for clear technical knowledge transfer.

Skills

Quantitative analysis

Scientific reasoning

Documentation

Communication

Education

PhD in chemistry

Computational chemistry background

Tools

Python

Gaussian

ORCA

Psi4

GROMACS

LAMMPS

RDKit

Job description

OpenTrain AI, Inc. seeks a STEM Expert in Chemistry and Computational Chemistry on a part-time contract to advance AI systems through chemistry problem-solving and rigorous review.

You will work on experimental and computational chemistry, assess mechanisms and simulations, and document methods and best practices for knowledge transfer. Applicants must hold a PhD in chemistry or related field, be fluent in English, and proficient with tools like Gaussian, ORCA, Psi4, GROMACS, LAMMPS, and RDKit.