Here you can find currently active and past research projects the Lab was involved with:

Active Projects

  • Extensible Tools for Advanced Sampling and analYsis (ExTASY): An extensible toolkit to run iterative, coupled molecular simulation and analysis kernels on high performance computing systems
  • High-Throughput Binding Affinity Calculations (HTBAC): HTBAC enables rapid, accurate, scalable and reliable free energy-based binding affinity calculations.
  • Imagery Cyberinfrastructure and Extensible Building-Blocks to Enhance Research in the Geosciences (ICEBERG): ICEBERG is an extensible system for coupling open-source image analysis tools with the use of high performance and distributed computing (HPDC) for imagery-enabled geoscience research.
  • MIddleware for Data-Intensive Analytics and Science (MIDAS): Middleware for Data-Intensive Analytics and Science (MIDAS) will support new programming and execution models for data-intensive analysis in a wide range of science and engineering applications.
  • The Power of Many: Ensemble Toolkit for Earth Sciences: A generic ensemble programming and execution system used to simulate and analyze (1) climatic models to predict solar energy distribution and (2) seismic wave data to understand the formation and constituents of the earth's crust
  • RADICAL-Pilot: RADICAL-Pilot (RP) is a flexible Pilot System that provides a simple and scalable approach for executing many concurrent simulations clusters and grids. RP is written in Python and is deployable into user space. It allows user-level control of HPC resources and supports a wide range of application types. It is built on top of the Simple API for Grid Applications (RADICAL-SAGA), a high-level, easy-to-use API for accessing distributed resources. RP thus works on a variety of backends such as PBS, LSF, Slurm etc.
  • Past projects