Computational Materials Science, Formulations

Schrödinger
Location
New York; Portland
Job Type
Full-time
Posted
October 29, 2026
Salary Range
$105k - $235k USD

Job Description

Schrödinger seeks aComputational Materials Scientist in Formulationsto 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.

Frequently Asked Questions

Where is this role located, and what is the work setting?
The job is located in New York and Portland. Schrödinger offers a flexible work schedule.
What qualifications and experience are required for this position?
Candidates must have a PhD in Chemistry, Materials Science, Chemical Engineering, or a related field. Requirements include a background in molecular dynamics simulations, familiarity with coarse-grained simulations and enhanced sampling, expertise in Python scripting, Linux and HPC exposure, and a publication track record in computational modeling.
What are the key responsibilities for this role?
You will perform molecular simulations projects, solve formulation problems using coarse-grained MD and enhanced sampling, automate simulations using Python and shell scripts, collaborate with cross-functional teams, present technical results in meetings, and contribute to scientific publications.
What is the compensation range for this role?
The estimated base salary range is $105,000 to $235,000. Actual compensation depends on factors like experience, education, degrees held, market data, and business needs. Equity-based compensation is also offered.
What benefits does Schrödinger offer?
Benefits include healthcare (with dental and vision), a 401k, parental leave, pre-tax commuter benefits, equity-based compensation, over a month of paid vacation time, flexible work schedules, and company-wide events.
Which team will I be joining?
You will join the Materials Science Modeling Services team, working closely with the group to help customers apply computational tools to industrial research and development.

Ready to Apply?

Apply for this Position

You'll be redirected to the company's application page

Email me new mid-level roles

One email when matching jobs are posted. Free, unsubscribe anytime.

Share this job:
WhatsApp LinkedIn X Email

Job Information

Source: greenhouse
AI Relevance: 60/100 (Relevant)
Remote Type: onsite
Skills & Tags:
MS Product & Discovery

Email me new mid-level roles

One email when matching jobs are posted. Free, unsubscribe anytime.

Related Jobs

Apply for this Position

Get weekly job alerts