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Date: Wed Dec 12 14:03:23 2018
Subject: 18.12.11 Computational Chemistry Applications Scientist, XtalPi, Boston, MA, USA

XtalPi is a pharmaceutical technology company that is reinventing the industry's approach to drug research and development with its Intelligent Digital Drug Discovery and Development (ID4) platform. With tightly interwoven quantum physics, artificial intelligence, and high-performance cloud computing algorithms, XtalPi's ID4 platform provides accurate predictions on the physiochemical and pharmaceutical properties of small-molecule candidates for drug design, solid-form selection, and other critical aspects of drug development. XtalPi is dedicated to improving the efficiency, accuracy, and success rate of drug research and development, and contributing to a healthier society worldwide.

Founded in 2014 by a group of quantum physicists at MIT, XtalPi has since built an elite team with multi-disciplinary expertise in physics, chemistry, pharmaceutical R&D, and algorithm design. XtalPi's cutting-edge technologies, innovative solutions, and diverse applications across the pharmaceutical value chain have helped it gain industry approval and establish strategic partnerships with top international pharmaceutical companies.

We are looking for an energetic Applications Scientist to join our Boston-based Business Development team with possible rotation opportunities in Shenzhen and Beijing. You will have excellent oral and written scientific communication skills, combined with experience in computational chemistry or drug development. In this role, you will work with XtalPi's scientists to effectively communicate our technology through written and oral means with potential and existing customers.


  • present XtalPi's technology to potential customers and at scientific conferences
  • work with customers to answer questions about our technology
  • prepare scientific slide-decks for presentations
  • learn XtalVision software for preparing customer reports
  • streamline communication between customers and development team
  • identify customer wants and needs
  • work with PR, BD, and development teams on all written scientific outputs, e.g. scientific journals, popular magazines, and our website
  • stay up-to-date on innovations in crystal structure prediction
  • work primarily from our Boston office and be willing to travel up to 10-50% of the time (domestically and internationally)


  • Ph.D. in computational chemistry, life sciences, quantum chemistry, physical chemistry, medicinal chemistry, condensed matter physics, computational biology, or related sciences
  • excellent communication and interpersonal skills
  • excellent scientific writing and oral communication skills, demonstrated by publication and presentation track record
  • programming experience
  • team player
  • self-motivated

Desirable skills:

  • pharmaceutical research experience
  • computational chemistry experience
  • cloud computing experience
  • understanding of thermodynamics and statistical mechanics
  • polymorph screening experience
  • experience in collaborative projects
  • project management skills

Deadline: February 1, 2019

How to apply: Please email your CV and cover letter to Ruyu Wang at using the subject line "Applications Scientist Position." Applicants should be eligible to work in the United States.

We look forward to your application!

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