Job Description
We’re seeking a Postdoctoral Fellow in Machine Learning (ML) to join us in our mission to improve human health and quality of life through the development distribution and application of advanced computational methods. As a member of our Materials Science team you’ll develop state-of-the-art ML force fields which will be applied to impactful applications in materials sciences.
Who will love this job:
- A machine learning enthusiast with a background in physical science
- 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 who can write their own scripts
- 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 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
- Experience with predicting electronic properties using VASP Quantum ESPRESSO or similar modeling software
- Prior knowledge of ML toolkits such as Scikit-Learn NumPy SciPy Pandas and PyTorch is a plus but not required
- Understanding of surface chemistry is a plus but not required
Top Skills
What We Do
Schrödinger is a leading provider of advanced molecular simulations and enterprise software solutions and services for pharmaceutical biotechnology and materials science research. The predictive power of Schrödinger's software allows scientists to accelerate their research and development reduce research costs and make novel discoveries.
Why Work With Us
We have a mission-driven culture that thrives off team collaboration. By utilizing a non-hierarchal approach we hope to give all employees a voice and room to grow to their fullest potential. We actively engage in diversity and inclusion efforts pay fairly and always strive to provide a supportive atmosphere for our teams.
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Date Posted
04/17/2026
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