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Posted 7 Jul 2026

Computational Chemistry Expert (PhD)

In this role, you'll apply your expertise to help train next-generation AI systems.

Remote$40–$60 per hour
Hiring companyMicro1
Application processN/ANo approved reviews yet
Work experienceN/ANo approved reviews yet

About the role

Your work will shape how models learn, reason, and perform through high-quality, real-world input.

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

  • 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 skills

  • 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.

Eligibility

Work arrangement: Fully remote

Compensation details

$40–$60 per hour.

More about the hiring companyMicro1
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