Boston, MA
Berkeley, CA
Ghent, Belgium
Tokyo, Japan

Job Type

Full Time


Do you want to be part of a cutting-edge effort to use quantum mechanics to change the world?

QSimulate is building a world-class team to accelerate scientific discovery. Our platform provides paradigm-shifting quantum-mechanics-based tools for scientists worldwide. These tools are being used in such areas as drug discovery, reaction modeling, and AI.

We are looking for a scientist with a molecular simulation background to develop solutions related to small-molecule lead optimization and covalent inhibitor design.


    In this role, you will contribute to the development of simulation solutions and workflows for various scientific challenges in drug discovery. Your responsibilities would include:

    • Analyze customers' scientific challenges and propose solutions.
    • Refine scientific solutions to help software engineers automate the workflow.
    • Combine simulation with AI to solve problems in drug discovery.


  • PhD in computational molecular science or biology.
  • Experience with atomistic simulations.
  • Experience with quantum mechanics is a plus.
  • Publications in peer-reviewed journals.

We Offer

  • The opportunity to make an immediate and visible impact within a fast growing company with lots of potential.
  • Passionate and fun teammates.
  • Competitive compensation.

Our Values

QSimulate is dedicated to building a diverse team of individuals who are committed to contributing to an inclusive environment. Our core values include:

Respect for All

Serving the Greater Good

Welcoming Diverse Individuals

We are an equal opportunity employer and value diversity at our company. We do not discriminate on the basis of race, religion, color, national origin, gender, sexual orientation, age, marital status, veteran status, or disability status.

We consider exceptional candidates with strong backgrounds even if you don't check every box.

Join QSimulate.

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