The Violi Lab
Molecular simulations and Machine Learning for Nanoscience

Welcome to the Violi Lab!

We are dedicated to interdisciplinary research at the forefront of nanoscience, where we use molecular simulations and machine learning. Our two-pronged mission is to perform basic research while addressing real-world challenges for maximum societal impact.

Our recent work includes Geometric Deep Learning for accelerating molecular dynamics simulations of nonthermal plasma, ensemble methods for multitask feature selection (BoUTS and JOPLEn), and predicting interactions between proteins and nanoparticles. Check out our news tab for more info!

Join us! Make an impact by shaping the future of scientific discovery, nanomaterial design, human health, and environmental stewardship.


Selected Publications

  1. raymond2024joint.png
    Joint Optimization of Piecewise Linear Ensembles
    Matt Raymond , Angela Violi, and Clayton Scott
    May 2024
  2. raymond2024universal.png
    Universal Feature Selection for Simultaneous Interpretability of Multitask Datasets
    Matt Raymond , Jacob Charles Saldinger , Paolo Elvati , and 2 more authors
    Mar 2024
  3. saldinger2023domain.jpg
    Domain-agnostic predictions of nanoscale interactions in proteins and nanoparticles
    Jacob Charles Saldinger , Matt Raymond , Paolo Elvati , and 1 more author
    Nature Computational Science, May 2023