Chemistry & Computational AI Benchmarking Scientist (Remote)

RemoteJobsOne; Charlotte (NC); Remote; USD 74,000 - 124,000; Full time

Job summary

RemoteJobsOne is seeking a STEM Expert – Chemistry & Computational Chemistry (PhD) to join a fully remote worldwide team. You’ll apply your chemistry expertise to train AI systems, shaping how models learn and reason through real-world data.

The role requires a PhD in chemistry or related field, strong Python skills, and experience with quantum chemistry tools. Excellent communication in English is essential.

Qualifications

• PhD in chemistry, computational chemistry, chemical biology, materials science, or a closely related field.
• Hands-on research lab experience or extensive simulation-heavy research.
• Proficiency in Python and industry-standard tools in the subfield.

Responsibilities

• Design, evaluate, and critique chemistry and computational chemistry problems for AI benchmarking.
• Provide expert insights on reaction mechanisms, synthesis planning, spectroscopy, and molecular simulations.
• Assess and optimize experimental protocols, simulation parameters, and software configurations.
• Analyze chemical, spectroscopic, and simulation data and provide actionable recommendations.
• Leverage domain knowledge to guide the development and validation of chemistry-related AI models.
• Communicate complex concepts clearly to technical and non-technical collaborators.
• Document findings, methodologies, and best practices for knowledge transfer.

Skills

Chemistry expertise

Python

English proficiency

Scientific reasoning

Communication skills

Education

PhD in chemistry or related field

Tools

Gaussian

ORCA

Psi4

GROMACS

LAMMPS

RDKit

Job description

RemoteJobsOne is seeking a STEM Expert – Chemistry & Computational Chemistry (PhD) to join a fully remote worldwide team. You’ll apply your chemistry expertise to train AI systems, shaping how models learn and reason through real-world data.

The role requires a PhD in chemistry or related field, strong Python skills, and experience with quantum chemistry tools. Excellent communication in English is essential.