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Computational Chemist At 1QBit

Location: Vancouver, British Columbia

Job Description

1QBit is dedicated to solving the world’s most intractable challenges by recasting problems to harness the power of quantum computing. We identify demanding industry problems and apply breakthroughs in computation to machine intelligence and optimization science to build software that allows applications to continually benefit from advances in both quantum and classical hardware.

We believe that quantum technologies will form the next pillar of computational progress. We research, benchmark, and build software development kits, online platforms, and applications that make the power of quantum computers accessible to researchers, developers, and industry-leading organizations so they can solve their most difficult problems in fields such as optimization, simulation, and machine learning.

As an interdisciplinary team of world-class mathematicians, physicists, engineers, operations research scientists, software developers, quantum computing experts, and business leaders, we share a curiosity and drive to uncover new ways of solving currently intractable problems.

Our work is guided by a shared set of values focused on five fundamental principles:

  • Audacity – A drive to pioneer and apply new methods. To dream without limit and then do the hard work of bringing your ideas into reality
  • Open Thinking – A belief in the sharing of ideas. To approach each exploration with a receptive mindset and collaborate openly to produce the best possible results
  • Interdisciplinary Collaboration – A respect for the diversity of people, backgrounds, and skills. A wide range of perspectives reveals a more complete landscape and yields deeper insights
  • Ownership – A feeling of pride in the work of the team and a deep sense of purpose and accomplishment from your contribution
  • Beginner’s Mindset – A desire to improve as an expert while retaining the curiosity and openness that inspired you to begin

Your Role

In this role, as a member of our quantum computing team, you will work in collaboration with other researchers and software developers to support the research and development activities and the client engagements. You will use your theoretical chemistry and scientific programming experience to contribute to developing new algorithms for leveraging near-term quantum computing platforms for quantum chemistry simulations and its applications in advanced materials science and life sciences. This is a unique opportunity for you to join a growing team.

What You’ll Do

  • Research and development of new hybrid quantum algorithms for quantum chemistry simulations on classical and near-term quantum hardware.
  • Supporting the development of QEMIST (Quantum-Enabled Molecular Ab-Initio Simulation Toolkit) and OpenQEMIST, which are our products to help accelerate materials design process by accurately and efficiently predicting the electronic structure of molecules.
  • Supporting the client engagement projects involving applications of quantum computing in advanced materials science and life sciences.

What You’ll Bring

Members of our team bring a confluence of personality, skills, and intent that contributes to their individual development and our collective growth as an organization. Here is the knowledge and mindset you will bring to our team:

  • A Master’s degree in the area of quantum chemistry or a related discipline.
  • Track record of research accomplishment in computational chemistry as demonstrated by your peer-reviewed publications and presentations.
  • Solid experience with standard quantum chemistry software packages, such as Gaussian, Q-Chem, ORCA, PySCF, PSI4, ACES2, NWChem, and VASP.
  • Good grasp of electronic structure theories such as DFT, CC, and CI.
  • Experience with Unix/Linux and HPC environments and strong programming skills (e.g., Python and C/C++).
  • Able to conduct research in an interdisciplinary team environment, as well as independently.
  • Comfortable providing feedback to team members, and soliciting and acting on feedback to improve your performance as well as an eagerness to learn about new trends, tools, and technologies, and to continually consider how these will influence our projects in terms of opportunities and challenges.
  • Proactive in seeking out opportunities to help move projects forward and contribute to their improvement, as well as dedicated to maintaining team unity and effectiveness by sharing information and expertise and striving for team success.