Demo

Machine Learning Force Field Scientist

Schrödinger
York, NY Full Time
POSTED ON 10/8/2026
AVAILABLE BEFORE 12/14/2026
We’re seeking a Machine Learning (ML) Scientist to join us in our mission to transform the discovery of therapeutics and materials.

Schrödinger has pioneered a physics-based software platform that enables discovery of high-quality, novel molecules for drug development and materials applications more rapidly and at lower cost compared to traditional methods. The software platform is used by biopharmaceutical and industrial companies, academic institutions, and government laboratories around the world. Our multidisciplinary drug discovery team also leverages the software platform to advance collaborative programs and its own pipeline of novel therapeutics to address unmet medical needs.

As a member of our Machine Learning team, you’ll develop state-of-the-art ML force fields targeting impactful applications in Life and Materials sciences.

Who Will Love This Job

  • An ML force fields expert who has developed, validated, and applied ML force fields to simulate complex condensed-phase systems, such as solid-liquid interfaces, reactive events in the condensed phase, or solvated biomolecules
  • An innovator who’s driven to leverage technical knowledge to make a tangible impact
  • A scientist with deep knowledge of both finite system and periodic DFT, as well as other electronic structure methods, and who understands the limitations and appropriate applications of these methods
  • A proficient Python programmer with prior knowledge of ML toolkits such as PyTorch, Scikit-Learn, NumPy, SciPy, and Pandas
  • An independent researcher who enjoys collaborating with an interdisciplinary team in a fast-paced environment

What You’ll Do

  • Build and manage large data sets generated using quantum chemical methods at scale to develop predictive ML force fields
  • Develop software that trains and applies ML force fields to challenging problems in life and materials sciences
  • Extend the accuracy, capability and generalization of current ML force fields
  • Communicate results and present ideas to the team

What You Should Have

  • A PhD (or extensive experience) in Chemistry, Materials Science, Engineering, Computer Science, or Physics
  • A proven track record of scientific contribution and independent research
  • Prior experience with development of ML force fields and/or electronic structure methods

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: $120,000 - $175,000. 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.

Salary : $120,000 - $175,000

If your compensation planning software is too rigid to deploy winning incentive strategies, it’s time to find an adaptable solution. Compensation Planning
Enhance your organization's compensation strategy with salary data sets that HR and team managers can use to pay your staff right. Surveys & Data Sets

What is the career path for a Machine Learning Force Field Scientist?

Sign up to receive alerts about other jobs on the Machine Learning Force Field Scientist career path by checking the boxes next to the positions that interest you.
Income Estimation: 
$101,387 - $124,118
Income Estimation: 
$119,030 - $151,900
Income Estimation: 
$101,387 - $124,118
Income Estimation: 
$119,030 - $151,900
Employees: Get a Salary Increase
View Core, Job Family, and Industry Job Skills and Competency Data for more than 15,000 Job Titles Skills Library

Job openings at Schrödinger

  • Schrödinger York, NY
  • Schrödinger seeks an Infrastructure Developer to join us in our mission to transform the discovery of therapeutics and materials. As a member of our Infras... more
  • 15 Days Ago

  • Schrödinger Cambridge, MA
  • Schrödinger, a leader in computational chemistry software and services for customers in the preclinical drug discovery space and is seeking an ambitious, h... more
  • Just Posted

  • Schrödinger York, NY
  • Schrödinger seeks a Vice President of Marketing to join us in our mission to improve human health and quality of life through the development, distribution... more
  • 1 Day Ago

  • Schrödinger York, NY
  • We're seeking a DMPK Scientist to join us in our mission to transform the discovery of therapeutics! Our drug discovery and preclinical development team in... more
  • 5 Days Ago


Not the job you're looking for? Here are some other Machine Learning Force Field Scientist jobs in the York, NY area that may be a better fit.

  • Schrödinger York, NY
  • We’re seeking a Force Field Scientist to join us in our mission to improve human health and quality of life by transforming the discovery of therapeutics a... more
  • 7 Days Ago

  • Basis Research Institute York, NY
  • About Basis Basis is a nonprofit applied AI research organization with two mutually reinforcing goals. The first is to understand and build intelligence. T... more
  • 1 Day Ago

AI Assistant is available now!

Feel free to start your new journey!