Computational Chemistry Expert

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
• Leverage domain knowledge to guide the development and validation of chemistry-related AI models and tools
• Communicate complex scientific concepts clearly and document findings, methodologies, and best practices

Requirements

• PhD in chemistry, computational chemistry, or a closely related field (or equivalent industry/research experience)
• Proficiency with Python and scientific programming
• Expertise in computational chemistry methods and simulation-heavy environments
• Experience with industry-standard tools such as Gaussian, ORCA, Psi4, NWChem, GROMACS, LAMMPS, AMBER, RDKit, or OpenBabel
• Strong quantitative, analytical, and scientific reasoning skills
• Excellent written and verbal communication abilities for technical documentation

Preferred Qualifications

• Experience with AI/ML-assisted chemistry workflows or benchmarking
• Peer-reviewed publications, patents, or contributions to open-source scientific software
• Background in drug discovery, spectroscopy analysis, or reaction prediction/retrosynthesis

About the Company

micro1 connects domain experts to the development of frontier AI models. Real-world expertise is turned into training data, evaluations, and feedback loops that improve how models perform. AI labs and enterprises use micro1 to train models and build reliable AI agents through advanced evaluations and reinforcement learning environments.