Computational Chemist for AI Benchmarking & Simulations

Crossing Hurdles; Canada; On-site; CAD 80,000 - 110,000; Full time

Job summary

Crossing Hurdles, based in Canada, is looking for an expert in computational chemistry to design and evaluate advanced workflows that support AI initiatives. The role requires a PhD or equivalent experience, strong knowledge in molecular simulations, and proficiency in tools like Gaussian and Python.

The successful candidate will document methodologies and provide expert insights to optimize software configurations and simulation parameters, contributing significantly to drug discovery projects.

Qualifications

• PhD in chemistry, computational chemistry, or equivalent industry experience.
• Deep expertise with computational chemistry methods.
• Proficiency with industry-standard tools.

Responsibilities

• Design and evaluate advanced computational chemistry workflows.
• Provide insights on molecular simulations and cheminformatics.
• Analyze data and provide actionable recommendations.

Skills

Computational chemistry methods

Python programming

Quantitative analysis

Scientific reasoning

Education

PhD in chemistry or computational chemistry

Tools

Gaussian

ORCA

Psi4

NWChem

GROMACS

LAMMPS

AMBER

RDKit

OpenBabel

Job description

Crossing Hurdles, based in Canada, is looking for an expert in computational chemistry to design and evaluate advanced workflows that support AI initiatives. The role requires a PhD or equivalent experience, strong knowledge in molecular simulations, and proficiency in tools like Gaussian and Python.

The successful candidate will document methodologies and provide expert insights to optimize software configurations and simulation parameters, contributing significantly to drug discovery projects.