ColabFit seeking Computational Research Scientists

The ColabFit project is a collaborative infrastructure for the development of state-of-the-art data-driven interatomic potentials (DDIPs) with applications to 2D materials science. For more information on ColabFit, see

Two positions are offered with different desired skills sets (required skills are indicated by a *):
Position 1: Machine Learning Specialist
• *Experience developing ML methods
• *Contribution to Open Source efforts
• *Familiarity with ML libraries and standards (e.g. TensorFlow, PyTorch, ONNX, etc.)
• *Expertise with C/C++, Python, shell scripting
• Familiarity with Fortran
• Familiarity with DevOps tools (Git, continuous integration, unit testing, etc.)
• Familiarity with high-performance computing
• Familiarity with molecular simulation

Position 2: First Principles Materials Specialist
• *Experience performing electronic structure calculations (e.g. DFT)
• *Experience with classical molecular simulations of materials (e.g. LAMMPS)
• *Experience with automating workflows
• *Experience with online first principles repositories and standards (e.g. AFLOW, NOMAD, OPTIMADE, etc.)
• Background in electronic structure method development
• Familiarity with 2D material systems (e.g. graphene, MoS2)
• Familiarity with theory and simulation of phase transformations

The full job posting may be found here:

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