DescriptionWe propose to use multiple XSEDE resources to study several scientific problems. This work is built on theextensive efforts over the past three years we have carried out within a wide range of computational science,cyberinfrastructure and computer science projects, requiring us to use concurrent multiple resources onXSEDE. Specifically, in this proposal we request 10.04M on Stampede, 2.07M on Kraken, 0.37M on Tres-tles and 0.1M on Blacklight for four distinct projects: (i) Atomisitic simulation of Physiological Systems;Extensible and Scalable middleware and tools for XSEDE and Open Science Grid.This proposal is fundamentally multi-disciplinary and collaborative. Importantly resources being re-quested are part of and supported by multiple federally funded and even International funded projects (inconjunction with NSF). This work is primarily funded by NSF CAREER Award (OCI-1253644; PI Jha), aswell as by NSF Cyber-enabled Discovery and Innovation Award (CHE-1125332; co-PI Jha), NSF-ExTENCIergy Award (ASCR, DE-FG02-12ER26115, PI Jha). A significant grant (ExTASY) as part of the US-UKNSF-EPSRC call in Chemsitry has been awarded at the UK end and is awaiting processing at the US end.
OrganizationRutgers, the State University of New Jersey
DepartmentNone Stated
Sponsor Campus GridOSG-XSEDE
Principal Investigator
Shantenu Jha
Field Of ScienceMolecular and Structural Biosciences