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Schrödinger

Computational platform for drug discovery

Machine Learning Force Field Scientist

AI ResearchConfirmed live in the last 24 hours
Full-timeNew York, NY, USAIn-person

About the Job

Requirements

  • 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 developing machine learning force fields and/or electronic structure methods.
  • Expertise developing, validating, and applying machine learning force fields to simulate complex condensed-phase systems, such as solid-liquid interfaces, reactive events in the condensed phase, or solvated biomolecules.
  • Deep knowledge of finite system and periodic density functional theory, as well as other electronic structure methods, including understanding their limitations and appropriate applications.
  • Proficiency in Python and prior knowledge of machine learning toolkits such as PyTorch, Scikit-Learn, NumPy, SciPy, and Pandas.

Responsibilities

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

About the Company

Schrödinger

Computational platform for drug discovery

Schrödinger provides a computational platform for drug discovery used by biopharma, academia, and government labs worldwide. It offers an integrated software suite for molecular modeling and simulations that clients license or access through collaborative research, often complemented by joint drug-discovery programs. The company differentiates itself with a long history (since 1990), a global footprint in 70+ countries, and a combination of software tools plus collaborative services. Its goal is to advance science and talent by strengthening its platform while helping partners discover and develop medicines through computational methods and partnerships.

Company size
501-1,000
Company stage
IPO
Headquarters
New York City, New York
Founded
1990

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