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# Machine Learning (ML) Scientist

- **Company:** Schrodinger, Inc.
- **Location:** New York, NY, United States
- **Salary:** $120,000.0 - $175,000.0
- **Contract:** Permanent contract
- **Skills:** Computing Platforms, Big Data, Python (Programming Language), NumPy, SciPy, Software Engineering, Pytorch, Pandas, Scikit Learn, Information Technology
- **Published:** September 4, 2026
- **Apply:** https://startup.jobs/machine-learning-force-field-scientist-schrodinger-8274777

## About the Role

* 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, * 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, 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

## Description

* 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


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