Computational Biology & Bioinformatics Expert (PhD) - Remote

Job Title: Computational Biology & Bioinformatics Expert (PhD)

Job Type: Contractor

Location: Remote (Worldwide)

Required Skills computational chemistry molecular simulations python gaussian gromacs lammps amber orca psi4 nwchem rdkit openbabel cheminformatics electronic structure methods scientific software configuration molecular dynamics drug discovery ai/ml-assisted chemistry workflows quantitative analysis analytical reasoning scientific programming written communication verbal communication documentation problem-solving

Job Summary: 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.

Key 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 And Qualifications

• 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.