1MO AGO

Computational Chemistry Expert (PhD)

micro1 / Computational Chemistry Expert (PhD)

RATE

$40 - $60/HR

LOCATION

REMOTE (GLOBAL)

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DESCRIPTION

Job Title: Computational Chemistry Expert (PhD) Job Type: Contractor Location: Remote Job Summary: In this role, you'll apply your expertise to help train next-generation AI systems. Your work will shape how models learn, reason, and perform through high-quality, real-world input. Key Responsibilities: • 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. • Communicate complex scientific concepts clearly, both in writing and verbally, to technical and non-technical collaborators. • Document findings, methodologies, and best practices to ensure knowledge transfer across the customer’s team. Required Skills and

REQUIREMENTS

▸PhD in chemistry, computational chemistry, or closely related field, or equivalent industry/research experience.
▸Deep expertise with computational chemistry methods and simulation-heavy environments is desirable.
▸Proficiency with industry-standard tools such as Gaussian, ORCA, Psi4, NWChem, GROMACS, LAMMPS, AMBER, RDKit, or OpenBabel would be ideal.
▸Strong scientific programming and analytical workflow experience, especially using Python.
▸Excellent quantitative, analytical, and scientific reasoning skills.
▸Outstanding written and verbal communication abilities, with the ability to clearly document and explain technical concepts.
▸Track record of rigorous scientific problem-solving in complex chemistry domains.
▸Preferred Qualifications: