[Hiring] STEM Expert – Chemistry & Computational Chemistry @24-MAG

Role Description

We are sharing a specialised remote consulting opportunity for experienced Chemistry and Computational Chemistry Experts with doctoral-level qualifications and advanced expertise in chemical research, molecular modelling, scientific analysis, and computational methods to contribute their knowledge to AI training and benchmarking initiatives.

Selected professionals will design, solve, review, and evaluate complex chemistry problems, scientific workflows, and technical reasoning tasks. The work combines advanced chemical expertise with experimental or computational research, quantitative analysis, simulation methodologies, and structured evaluation to improve the scientific accuracy and reasoning capabilities of advanced AI systems.

Key Responsibilities

• Advanced Chemistry Research & Scientific Problem Development
  • Develop technically rigorous chemistry problems involving realistic research and industry scenarios.
  • Analyse complex questions in organic, inorganic, physical, theoretical, and analytical chemistry.
  • Apply advanced chemical principles to reaction mechanisms, synthesis planning, molecular behaviour, and material properties.
  • Evaluate scientific assumptions, chemical reasoning, and methodological approaches for accuracy and consistency.
  • Design specialised scientific challenges suitable for AI training and benchmarking.
• Computational Chemistry & Molecular Simulation
  • Develop and evaluate computational chemistry workflows involving molecular modelling and simulation.
  • Apply relevant methods in electronic structure theory, molecular dynamics, and computational analysis.
  • Assess simulation parameters, model configurations, and numerical methods for scientific accuracy.
  • Use appropriate scientific software to investigate molecular properties, chemical interactions, and structural behaviour.
  • Validate computational results through established scientific principles and reproducible analytical procedures.
• Chemical Data Analysis & Experimental Evaluation
  • Analyse chemical, spectroscopic, molecular, and simulation datasets to identify meaningful scientific findings.
  • Evaluate experimental protocols, analytical procedures, and computational methodologies.
  • Review spectroscopy results, reaction pathways, chemical structures, and quantitative measurements.
  • Identify inaccuracies, inconsistent assumptions, and methodological limitations in scientific analyses.
  • Recommend technically justified improvements to experimental and computational workflows.
• AI Training & Chemistry Benchmark Evaluation
  • Design and critique chemistry-related questions, reasoning chains, and computational tasks for AI benchmarking.
  • Review AI-generated solutions for chemical accuracy, scientific completeness, and methodological consistency.
  • Identify errors involving reaction mechanisms, molecular interpretation, numerical calculations, and simulation assumptions.
  • Develop clear reference solutions supported by rigorous chemical reasoning and appropriate scientific methods.
  • Provide structured expert feedback to improve AI performance across chemistry and computational research applications.
• Scientific Documentation & Interdisciplinary Collaboration
  • Produce clear technical documentation describing research methods, computational procedures, and analytical findings.
  • Communicate complex chemical concepts effectively to scientific, technical, and interdisciplinary collaborators.
  • Collaborate with relevant specialists to evaluate chemistry-focused AI systems and scientific workflows.
  • Document methodological decisions, simulation configurations, and recommended improvements.
  • Support consistent scientific quality standards and knowledge sharing across research and evaluation activities.

Qualifications

• PhD in Chemistry, Computational Chemistry, Chemical Biology, Materials Science, or a closely related scientific discipline.
• Hands-on laboratory research experience for experimental chemistry specialisations, or extensive simulation-based research experience for computational specialisations.
• Deep expertise in at least one relevant field of chemistry or computational chemistry.
• Strong understanding of chemical principles, scientific research methodologies, and quantitative analysis.
• Expertise in organic synthesis, reaction mechanisms, inorganic chemistry, organometallic chemistry, or related areas.
• Alternatively, advanced expertise in physical chemistry, theoretical chemistry, analytical chemistry, spectroscopy, or molecular simulation.
• Experience in cheminformatics, drug discovery, materials science, or polymer chemistry is also relevant.
• Practical proficiency in Python and/or established scientific software appropriate to the candidate's specialisation.
• Familiarity with tools such as Gaussian, ORCA, Psi4, GROMACS, LAMMPS, RDKit, or comparable scientific applications.
• Demonstrated ability to analyse chemical datasets, evaluate scientific workflows, and validate research findings.
• Excellent quantitative reasoning, scientific problem-solving, and analytical evaluation capabilities.
• Professional written and spoken English proficiency at C1 level or higher.
• Strong written and verbal communication skills, including the ability to explain advanced scientific concepts clearly.
• Academic research experience as a postdoctoral researcher, research scientist, faculty member, or equivalent is strongly preferred.
• Peer-reviewed publications, patents, or contributions to open-source scientific software are advantageous.
• Experience with AI/ML-assisted chemistry workflows, scientific benchmarking, or model evaluation is beneficial.
• Background in drug discovery, reaction prediction, retrosynthesis, or computational molecular research is advantageous.
• Strong attention to detail and commitment to rigorous, reproducible, and well-documented scientific work.

Engagement Details

• Freelance / contract engagement.
• Fully remote — open worldwide.
• Compensation: $45–$90/hour.
• 50 available openings.
• Specialised scientific consulting role spanning chemistry, computational chemistry, molecular modelling, and AI evaluation.