STEM Expert – Chemistry & Computational Chemistry (PhD)

M
micro1Computational chemistry
Remote (Worldwide)Contract
Salary not disclosed
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Job Details

Languages
Professional written and spoken English (C1 or higher).
Required Skills
Python

Requirements

  • Hold a PhD in chemistry, computational chemistry, chemical biology, materials science, or a closely related field.
  • Have hands-on research lab experience, including wet lab experience for experimental subfields, or extensive simulation-heavy research for computational subfields.
  • Have deep expertise in at least one listed area: organic synthesis and reaction mechanisms; inorganic and organometallic chemistry; physical and theoretical chemistry; analytical chemistry and spectroscopy; computational chemistry and molecular dynamics; cheminformatics and drug discovery; or materials science and polymer chemistry.
  • Have professional written and spoken English at C1 level or higher.
  • Be proficient in Python and/or industry-standard tools in the relevant subfield, such as Gaussian, ORCA, Psi4, GROMACS, LAMMPS, or RDKit.
  • Demonstrate quantitative, analytical, and scientific reasoning skills.
  • Be able to document and explain technical concepts clearly in writing and verbally.
  • Have a track record of rigorous scientific problem-solving in complex chemistry domains.
  • Academic experience such as postdoctoral, research scientist, or faculty work is strongly preferred.
  • Peer-reviewed publications, patents, or contributions to open-source scientific software are preferred.
  • Experience with AI/ML-assisted chemistry workflows or benchmarking is preferred.
  • A background in drug discovery, reaction prediction, or retrosynthesis is preferred.

Responsibilities

  • Design, evaluate, and critique chemistry and computational chemistry problems, workflows, and reasoning chains for AI benchmarking initiatives.
  • Provide expert insights on reaction mechanisms, synthesis planning, spectroscopy analysis, molecular simulations, and electronic structure methods.
  • Assess and optimize experimental protocols, simulation parameters, and software configurations for accuracy and reproducibility.
  • Analyze chemical, spectroscopic, and simulation data and provide actionable recommendations.
  • Guide the development and validation of chemistry-related AI models and tools using domain knowledge.
  • Communicate complex scientific concepts in writing and verbally to technical and non-technical collaborators.
  • Document findings, methodologies, and best practices for knowledge transfer across the customer’s team.
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