Microscopic and Molecular Approach in Environmental Geochemistry: Studies on the Behavior of Contaminants in Redox-Dynamic Environments Events
LAMMPS - A Flexible Simulation Tool for Particle-Based Materials Modeling at the Atomic, Meso, and Continuum Scales Publications Computer Physics Communications
Data-Driven Cloud Clustering via a Rotationally Invariant Autoencoder Publications IEEE Transactions on Geoscience and Remote Sensing
DLHub: Simplifying publication, discovery, and use of machine learning models in science Publications Journal of Parallel and Distributed Computing
Models and Processes to Extract Drug-like Molecules From Natural Language Text Publications Frontiers in Molecular Biosciences
Lightweight Function Monitors for Fine-Grained Management in Large Scale Python Applications Publications 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS)
Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models Publications The Journal of Physical Chemistry A
2′-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography Publications PNAS - Proceedings of the National Academy of Sciences of the United States of America
MemXCT: Design, Optimization, Scaling, and Reproducibility of X-ray Tomography Imaging Publications IEEE Transactions on Parallel and Distributed Systems ( Early Access )
