Openings

Postdoctoral Opportunity: Graph Neural Networks and AI for Molecular Dynamics Simulations

A postdoctoral position is available in the Palermo Lab at the University of California, Riverside, focused on the development and application of Graph Neural Networks (GNNs) and other AI-driven methods to transform molecular dynamics (MD) simulations.

Our lab has a strong foundation in classical and enhanced MD, applied to unravel the mechanisms of genome editing systems such as CRISPR-Cas9, Base Editing, and DNA transposition systems. We are now entering a new phase that integrates machine learning, with a focus on GNNs—including Graph Attention Networks (GATs)—to revolutionize how biomolecular simulations are performed and interpreted.

echarThe successful candidate will lead efforts to develop and deploy such architectures, combining physics-based MD data with graph-based learning frameworks. Projects may include:

  • Developing surrogate models to accelerate MD simulations.
  • Designing GNNs to learn free energy landscapes or reaction coordinates.
  • Applying GATs to map communication networks and allosteric hotspots.
  • Integrating GNN-based embeddings into multiscale or hybrid quantum/classical workflows.

Experience with deep learning, PyTorch/Deep Graph Library (DGL), TensorFlow, or similar frameworks is highly desirable. The position is ideal for a physicist, chemist, engineer, or computer scientist interested in applying modern AI to cutting-edge biophysical problems.

Collaborations with leading experimental groups in cryo-EM, NMR, and biochemistry are available and encouraged.

UC Riverside is part of the University of California system and located in the vibrant Southern California research corridor. The appointee will join the Department of Bioengineering with competitive salary and benefits in accordance with NIH guidelines. The Riverside area offers excellent quality of life, abundant outdoor recreation, and affordable housing.

The Palermo Lab fosters a collaborative, interdisciplinary environment for young scientists eager to push boundaries at the interface of simulation and AI.

To apply, email your CV and motivation letter to giulia.palermo@ucr.edu

Externally funded PhD and post-doctoral positions

We welcome graduate and post-doctoral researchers who consider applying for their own financial support. We will provide the required support and guidance in the preparation of the project and of the application. Motivated young scientists interested in joining the lab can consider the following opportunities:

  • US citizens or permanent residents are eligible to apply for NRSA F32 post-doctoral fellowships, and join T32 Training Grants
  • NIH/NSF post-doctoral and graduate fellowships
  • Human Frontier & Marie Curie post-doctoral fellowship
  • Royal society post-doctoral opportunities
  • Swiss National Science Foundation post-doctoral grants