Computational Biology & Bioinformatics Expert (PhD)

About the role

In this role, you'll apply your expertise to help train next-generation AI systems. Your work will shape how models learn, reason, and perform through high-quality, real-world input.

Scope of Work

• 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.

What you’ll bring

• PhD in chemistry, computational chemistry, or closely related field, or equivalent industry/research experience.
• Professional written and spoken English (C1 or higher)
• 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 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.

Benefits

Not provided in the source listing.

Contract & Payment Terms

• Source clarification: the posting title is Computational Biology & Bioinformatics Expert (PhD), while its responsibilities and qualifications focus on computational chemistry. Confirm the intended discipline with micro1.
• Source posting label: Today, captured 15 October 2026 (evening batch); approximate employer posting date 2026-10-15, source timezone unspecified.

Where you can work

The listing states worldwide eligibility. Confirm work authorization with the employer.

Remote does not always mean work from any country. Always check the employer’s location and working-hour requirements.