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Quantum Computing Cheminformatics Researcher

2 months ago

Palo Alto, California, United States PsiQuantum Full time

Company Overview:

At PsiQuantum, we are pioneering the future of quantum computing, aiming to revolutionize industries reliant on complex computations. Our mission is to construct the first practical quantum computer, achieving transformative results through advanced technology.

Role Summary:

Are you enthusiastic about integrating machine learning, computational chemistry, and materials science to leverage quantum algorithms for generating precise and valuable quantum data across various industrial sectors? As a Quantum Computing Cheminformatics Researcher, you will be part of a vibrant and growing team of theoretical physicists, chemists, machine learning specialists, and quantum information scientists. We value diverse skill sets and foster an environment that encourages innovation and collaboration, providing ample opportunities for personal development and leadership.

Your focus will be on connecting fault-tolerant quantum computing (FTQC) with established cheminformatics and computational tools, leading the way in quantum-aided materials, chemicals, and drug design. You will apply your expertise in machine learning and computational chemistry to address complex challenges, linking quantum-computed properties with macroscopic observables, thus supporting advancements in fields such as drug design, energy materials, and catalysis.

Key Responsibilities:

  1. Conduct cutting-edge research and literature reviews in quantum-informed multiscale modeling, cheminformatics, and computational physics and chemistry.
  2. Collaborate with quantum algorithm specialists to identify impactful applications of quantum computing in cheminformatics, particularly in drug design and materials science.
  3. Provide expertise in classical algorithms to aid the development of proprietary quantum algorithms, acting as a technical lead in client projects.
  4. Facilitate communication between partner teams and PsiQuantum's quantum information experts to innovate algorithm selection and deployment.
  5. Design computational workflows that integrate traditional methods with the groundbreaking capabilities of FTQC.
  6. Serve as a resource for cheminformatics, machine learning, and molecular modeling knowledge within the Quantum Solutions team.
  7. Build strong interdepartmental relationships to maximize the impact of quantum chemistry algorithms on atomistic data.
  8. Contribute to external materials that promote the applications of FTQC in relevant industries.
  9. Establish and maintain collaborations with external partners through meetings and research proposals.
  10. Document progress and create organized internal reports on research and project developments.

Qualifications:

Required:

  • Ph.D. in computational chemistry, physics, materials science, or a related field with a focus on applied machine learning.
  • Strong foundation in density functional theory (DFT) and advanced quantum mechanical methods.
  • In-depth knowledge of machine learning and molecular quantum chemistry.
  • Experience in a collaborative, interdisciplinary team environment.
  • Published research with first-author papers in cheminformatics and molecular modeling.
  • Proficiency in Python programming.

Highly Preferred:

  • Experience in quantum chemistry methodology development.
  • 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 simulations.
  • Experience with computational drug design processes.

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