Enhancements    

SRG - TRANSFERRING EXASCALE COMPUTATIONAL CHEMISTRY TO THE CLOUD COMPUTING AND EMERGING HARDWARE TECHNOLOGIES

SRG - TRANSFERRING EXASCALE COMPUTATIONAL CHEMISTRY TO THE CLOUD COMPUTING AND EMERGING HARDWARE TECHNOLOGIES
PI: Mark Pederson
Co-PI: Tunna Baruah
Sponsor: PACIFIC NORTHWEST NATIONAL LABORATORY
Physics
Amount awarded: $400,000

Dr. Pederson, Dr. Baruah and UTEP postdoctoral associates will collaborate with PNNL and Azure Technologies to develop containerized computational chemistry methods and demonstrations that will be used to initiate a Computational Chemistry as a Service (CCaaS) that will be availed through Microsoft Cloud Services. The effort ranges from rewriting well-tested software tasks in modern programs, demonstrating and testing more efficient methods for computational chemistry and containerizing elementary to advanced computational chemistry applications that both acquaint and effectively train the next generation workforce. UTEP researchers will help PNNL and Azure meet their goals of training an inclusive workforce.

Posting date: Mon, 03/04/2024

Award start date: Fri, 09/01/2023
Award end date: Sun, 08/31/2025