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Quantum Computing Cheminformatics Researcher

2 months ago

Palo Alto, California, United States PsiQuantum Full time

About PsiQuantum:

At PsiQuantum, we are driven by the belief that quantum computing will revolutionize industries reliant on extensive computational capabilities. Our objective is to develop the world's first practical quantum computer, equipped with one million qubits, robust error correction, and a scalable architecture.

Job Overview:

We are seeking a passionate Cheminformatics Scientist specializing in quantum solutions. This role is pivotal in merging machine learning, computational chemistry, and materials science to enhance the effectiveness of quantum algorithms and fault-tolerant quantum computing (FTQC) for diverse industrial applications. You will collaborate with a dynamic team of theoretical physicists, chemists, machine learning specialists, and quantum information scientists, all committed to innovation and collaboration.

Key Responsibilities:

  1. Engage in groundbreaking research and literature review, focusing on quantum-informed multiscale modeling, cheminformatics, and computational physics and chemistry.
  2. Work alongside quantum algorithm specialists to identify impactful applications of quantum computing in cheminformatics, particularly in drug design and materials science.
  3. Contribute expertise in non-quantum algorithms to the creation of proprietary quantum algorithms, serving as a technical lead in client projects.
  4. Facilitate communication between partner teams and PsiQuantum's quantum information experts to enhance algorithm selection and deployment.
  5. Design computational workflows that integrate conventional methodologies with the advanced capabilities of FTQC.
  6. Act as a knowledge resource in cheminformatics, machine learning, and molecular modeling, staying updated on recent academic developments.
  7. Foster strong interdepartmental relationships to maximize the application of quantum chemistry algorithms.
  8. Assist in creating external materials that promote the applications of FTQC across relevant industries.
  9. Establish and maintain partnerships and collaborations, including organizing meetings and drafting research proposals.
  10. Document progress and create organized internal reports on the above initiatives.

Qualifications:

Required:

  • Ph.D. in computational chemistry, physics, materials science, or a related field with a focus on applied machine learning.
  • Strong foundational knowledge in density functional theory (DFT) and advanced quantum mechanical methods.
  • In-depth understanding of machine learning and molecular quantum chemistry.
  • Proven track record of publications in cheminformatics, molecular modeling, and applied machine learning.
  • Proficiency in Python programming.

Highly Preferred:

  • Experience in methodology development within quantum chemistry.
  • Familiarity with various Python-based quantum chemistry and molecular modeling tools.
  • Expertise in machine learning potentials for molecular dynamics.
  • Knowledge of active learning in chemical and materials simulations.
  • Experience with computational drug design processes.

PsiQuantum is committed to equal employment opportunities for all applicants and employees, ensuring a diverse and inclusive workplace.