Machine Learning Force Field Scientist
Core
Develop state-of-the-art ML force fields to simulate complex condensed-phase systems for drug discovery and materials applications.
Role type
Machine Learning Scientist (Physics-based simulation)
Builds
Predictive ML force fields and software for life and materials sciences
Domain
Computational Chemistry / Materials Science / Drug Discovery
Deliverable
production ML models
Required skills
ML force field development, DFT and electronic structure methods, Python programming, PyTorch, Scikit-Learn, NumPy, SciPy, Pandas, quantum chemical methods
Preferred skills
Experience with solid-liquid interfaces, reactive events, solvated biomolecules
Technologies
PyTorch, Scikit-Learn, NumPy, SciPy, Pandas
Responsibilities
Build and manage large data sets from quantum chemical methods, develop software to train and apply ML force fields, extend accuracy and generalization of force fields, communicate results to the team
Seniority
PhD level, independent researcher