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Research Scientist

2 months ago


Redmond, Washington, United States Talent Software Services Full time
Job Title: Researcher

Job Summary:
Talent Software Services is seeking a highly motivated and experienced research scientist to join our team in Redmond, WA. The ideal candidate will have a deep understanding of ab initio quantum chemistry methods, molecular dynamics simulation methods, and molecule optimization. The successful candidate will be responsible for collaborating with cross-disciplinary teams, defining strategy to integrate advanced computational chemistry and structure-based molecular design methods, and developing and deploying robust automated computational workflows.

Key Responsibilities:
• Collaborate with machine learning, computational materials, and chemical sciences teams to develop and apply state-of-the-art client-accelerated and generative models to solve important problems in decarbonization for direct air capture technologies.
• Define strategy to integrate advanced computational chemistry and structure-based molecular design methods into molecular discovery and optimization.
• Develop and deploy robust automated computational workflows, enabling methods to be run without significant manual input.
• Maintain the highest standards in code quality and documentation.

Requirements:
• PhD or 5+ years of computational experience degree required.
• 5+ years of experience executing quantum chemical calculations at scale, with HPC or cloud computing systems, and with Python or similar.
• Proficiency with molecular dynamics software packages (e.g. LAMMPS, GROMACS).
• Proficiency with Gaussian-type basis quantum chemistry software (e.g. NWChem, PySCF, ORCA).
• Proficiency with classical molecular dynamics simulation software (e.g. GROMACS, LAMMPS, ASE).