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Computational Materials Science, Formulations

Schrödinger

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Questions you are likely to be asked

  1. Why do you want to join Schrödinger?
  2. What is your experience with Python? Tell me one thing you learned the hard way.
  3. What is a weakness you are working on, and how?
  4. Tell me about yourself, and why this role is the right next step.
  5. Tell me about a problem you solved at work that you are proud of.

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Schrödinger seeks a Computational Materials Scientist in Formulations to join us in our mission to transform the discovery of therapeutics and materials!

As a member of our Materials Science Modeling Services team, you’ll work closely with our group to help customers apply our computational tools to industrial research and development.

Who will love this job:

  • A computational chemistry expert who’s had hands-on experience with real-world molecular and materials science problems, especially with all-atom and coarse-grained simulations of complex formulations
  • A skilled Python and shell scripter who enjoys prototyping simulation tools, integrating computational chemistry software, and automating high-throughput simulations
  • An excellent communicator and team player who can translate complex scientific concepts for both technical and non-technical stakeholders
  • A detail-oriented scientist eager to work on diverse projects with industrial partners

What you’ll do:

  • Perform molecular simulations-focused projects using Schrödinger tools and meet project deadlines
  • Solve formulation problems with large scale simulations using coarse-grained MD and enhanced sampling techniques
  • Develop and apply Python and shell scripts for simulation automation and data analysis
  • Collaborate with cross-functional teams to identify and implement molecular modeling solutions for various industries
  • Present technical results in internal and external meetings
  • Contribute to scientific publications and research projects

What you should have:

  • PhD in Chemistry, Materials Science, Chemical Engineering, or a related field
  • Deep background in molecular dynamics (MD) simulations and its applications in materials science
  • Familiarity with coarse-grained simulation (DPD or Martini preferred) and enhanced sampling techniques
  • Proven expertise in Python scripting, particularly in conjunction with scientific software tools
  • Exposure to high-performance computing (HPC) environments and Linux operating systems
  • Proven research track record of publications in the computational modeling field
 
Pay and perks:
Schrödinger understands it’s people that make a company great. Because of this, we’re prepared to offer a competitive salary, equity-based compensation, and a wide range of benefits that include healthcare (with dental and vision), a 401k, pre-tax commuter benefits, a flexible work schedule, and a parental leave program. We have a company culture that is relaxed, but engaged, and over a month of paid vacation time.  Our Office Management team also plans a myriad of fun company-wide events. New York is home to our largest office, but we have teams all over the world. Schrödinger is honored to have been included in Crain's New York Best Places to Work, BuiltIn's NYC Best Place to Work, and Newsweek's list of America's 100 Most Loved Workplaces. 
 
Estimated base salary range: $105,000 to $235,000. Actual compensation package is dependent on a number of factors, including, for example, experience, education, degrees held, market data, and business needs. If you have any questions regarding the compensation for this role, do not hesitate to reach out to a member of our Strategic Growth team.
 
Sound exciting? Apply today and join us!
 
As an equal opportunity employer, Schrödinger hires outstanding individuals into every position in the company. People who work with us have a high degree of engagement, a commitment to working effectively in teams, and a passion for the company's mission. We place the highest value on creating a safe environment where our employees can grow and contribute, and refuse to discriminate on the basis of race, color, religious belief, sex, age, disability, national origin, alienage or citizenship status, marital status, partnership status, caregiver status, sexual and reproductive health decisions, gender identity or expression, sexual orientation, or any other protected characteristic. To us, "diversity" isn't just a buzzword, but an important element of our core principles and key business practices. We believe that diverse companies innovate better and think more creatively than homogenous ones because they take into account a wide range of viewpoints. For us, greater diversity doesn't mean better headlines or public images - it means increased adaptability and profitability.

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Listed on greenhouse · posted 2026-10-29. ApplySarthi collects openings and links to application pages; the role is advertised by Schrödinger, not by us.