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Quantum Solutions Cheminformatics Scientist

1 month ago

Palo Alto, California, United States PSI Quantum Full time
Unlock the Power of Quantum Computing

At PSI Quantum, we're on a mission to revolutionize industries with the world's first useful quantum computer. As a Quantum Solutions Cheminformatics Scientist, you'll play a crucial role in bridging the gap between fault-tolerant quantum computing and established cheminformatics and computational physics and chemistry tools.

Key Responsibilities:
  • Conduct innovative research and problem-solving in quantum-informed multiscale modeling, cheminformatics, materials informatics, and computational physics and chemistry.
  • Collaborate with quantum algorithm experts to deploy quantum computing with greatest impact in cheminformatics, specifically drug design and computational chemistry and materials problems.
  • Develop computational workflows that combine best-in-class conventional approaches with the breakthrough computational abilities of FTQC.
  • Serve as a technical lead in customer projects, integrating quantum computing-produced computational outputs into conventional customer workflows.
  • Interface between partner teams and PSI Quantum quantum information experts for innovative algorithm selection, development, prioritization, and deployment.
Requirements:
  • Ph.D. in computational (theoretical) chemistry, physics, materials science, or a closely related field with a strong focus on applied machine learning-based research.
  • Strong foundational knowledge in density functional theory (DFT) and/or advanced quantum mechanical wavefunction-based methods.
  • Deep knowledge of machine learning and molecular quantum chemistry.
  • Published track record in cheminformatics combined with molecular modeling and applied machine learning.
  • Comfortable and experienced with coding in Python.
Preferred Qualifications:
  • Methodology development experience in quantum chemistry.
  • Experience working with multiple python-based quantum chemistry and molecular modeling packages.
  • Deep expertise in working with machine learning potentials applied to molecular dynamics.
  • Knowledge of active learning applied to chemical and materials simulations.

At PSI Quantum, we're committed to creating a diverse and inclusive work environment. We welcome applications from candidates with a broad range of backgrounds and experiences. If you're passionate about quantum computing and cheminformatics, we encourage you to apply for this exciting opportunity.