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Chemistry & Computational Research Specialist – AI Projects
Gramian Consulting. Design, evaluate, and critique chemistry problems, computational workflows, and scientific reasoning chains for AI benchmarking initiatives.
Core Competencies
Role fitCore Competencies
Use this summary to align your resume positioning with the role.
Demonstrates expertise in Chemistry and Computational Chemistry, with a strong focus on AI benchmarking, data analysis, and scientific reasoning. Proficient in Python and familiar with key scientific software tools to support research and development in chemistry-focused AI models.
Highest-signal resume keywords
PhD In ChemistryHands-On Research ExperienceProficiency In PythonExpertise In SpectroscopyProfessional English Proficiency C1
ATS Keywords
Tailor your resumeApplicant Tracking System Keywords
Tip: use these terms in your resume and cover letter to boost ATS matches.
Hard Skills
Chemical ReasoningReaction MechanismsSynthesis PlanningMolecular ModelingData AnalysisExperimental ProtocolsSimulation ParametersScientific Software ConfigurationQuantitative SkillsAnalytical Skills
Soft Skills
Strong Communication SkillsScientific Reasoning Skills
Tools & Technologies
GaussianORCAPsi4GROMACSLAMMPSRDKit
Industry Keywords
Computational ChemistryChemical BiologyMaterials ScienceAI BenchmarkingScientific Outputs Review
Tech Stack
Tools & technologiesPython
About the role
Key responsibilities & impact- Design, evaluate, and critique chemistry problems, computational workflows, and scientific reasoning chains for AI benchmarking initiatives.
- Assess chemical reasoning involving reaction mechanisms, synthesis planning, retrosynthesis, spectroscopy, and molecular modeling.
- Evaluate experimental protocols, simulation parameters, and scientific software configurations for accuracy and reproducibility.
- Analyze chemical, spectroscopic, experimental, and simulation data to identify errors, limitations, and opportunities for improvement.
- Apply domain expertise to guide the development and validation of chemistry-focused AI models and scientific tools.
- Review AI-generated scientific outputs for correctness, completeness, methodological soundness, and consistency with established chemical principles.
- Document research methods, findings, limitations, and best practices to support reproducibility and knowledge transfer.
- Communicate complex scientific concepts clearly to technical and non-technical collaborators.
Requirements
What you’ll need- PhD in Chemistry, Computational Chemistry, Chemical Biology, Materials Science, or a closely related field.
- Hands-on research experience in a laboratory setting for experimental chemistry specializations, or extensive simulation-based research experience for computational specializations.
- Deep expertise in at least one of the listed chemistry or computational research areas.
- Professional written and spoken English proficiency at C1 level or higher.
- Proficiency in Python and/or relevant scientific software used in your specialization.
- Familiarity with applicable tools such as Gaussian, ORCA, Psi4, GROMACS, LAMMPS, or RDKit.
- Excellent quantitative, analytical, and scientific reasoning skills.
- Strong written and verbal communication skills, including the ability to document and explain technical concepts.
- Demonstrated ability to solve complex chemistry problems rigorously and evaluate scientific results critically.