Remote Computational Chemist for AI Benchmarking

Crossing Hurdles; United States; Remote; USD 62,000 - 124,000; Part time

Job summary

Crossing Hurdles is seeking aContract chemist for AI benchmarking in chemistry. You will design and critique chemistry problems, provide expert insights into reaction mechanisms and molecular simulations, and optimize experimental and computational workflows for accuracy and reproducibility.

The role requires a PhD in chemistry or related field, hands-on or simulation-heavy research, and proficiency in Python and major chemistry tools.

Qualifications

• PhD in chemistry, computational chemistry, chemical biology, materials science, or closely related field.
• Hands-on research lab experience or extensive simulation-heavy research.
• Deep expertise in at least one of the listed areas.

Responsibilities

• Design, evaluate, and critique chemistry and computational chemistry problems and workflows for AI benchmarking.
• Provide expert insights on reaction mechanisms, synthesis planning, spectroscopy analysis, molecular simulations, and electronic structure methods.
• Assess and optimize experimental protocols, simulation parameters, and software configurations for accuracy and reproducibility.
• Analyze chemical, spectroscopic, and simulation data and provide actionable recommendations.
• Guide development and validation of chemistry-related AI models and tools.
• Communicate complex concepts clearly to technical and non-technical collaborators.
• Document findings and methodologies to ensure knowledge transfer across the customer’s team.

Skills

Python

English proficiency

Analytical reasoning

Communication

Education

PhD in Chemistry or related field

Tools

Gaussian

ORCA

Psi4

GROMACS

LAMMPS

RDKit

Job description

Crossing Hurdles is seeking aContract chemist for AI benchmarking in chemistry. You will design and critique chemistry problems, provide expert insights into reaction mechanisms and molecular simulations, and optimize experimental and computational workflows for accuracy and reproducibility.

The role requires a PhD in chemistry or related field, hands-on or simulation-heavy research, and proficiency in Python and major chemistry tools.