- Design, evaluate, and critique advanced computational chemistry workflows to support AI benchmarking initiatives.
- Provide expert-level insights on molecular simulations, electronic structure methods, and cheminformatics pipelines.
- Assess and optimize simulation parameters and scientific software configurations for accuracy and reproducibility.
- Analyze data from molecular dynamics, quantum chemistry, and drug discovery projects, providing actionable recommendations.
- Leverage domain knowledge to guide the development and validation of chemistry-related AI models and tools.
- Document findings, methodologies, and best practices to ensure knowledge transfer across the customer s team.

Requirements

- Have a PhD in chemistry,



computational chemistry, or a closely related field, or equivalent industry/research experience.
- Possess deep expertise with computational chemistry methods and simulation-heavy environments.
- Demonstrate proficiency with industry-standard tools such as Gaussian, ORCA, Psi4, NWChem, GROMACS, LAMMPS, AMBER, RDKit, or OpenBabel.
- Have robust scientific programming and analytical workflow experience, especially using Python.
- Exhibit excellent quantitative, analytical, and scientific reasoning skills.

📌 Computational Chemist | $60/hr Remote (Canada)
🏢 Crossing Hurdles
📍 Canada