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mathematical sciences, Computational Sciences & Mathematics

With multidisciplinary expertise spanning technical pillars of high-performance computing, data science, computational mathematics, and computational engineering, we work toward building computational capabilities that position PNNL as a computing powerhouse. We also focus on enhancing the Science of Computing to achieve high-performance, power-efficient, and reliable computing at extreme scales for a spectrum of scientific endeavors that address significant problems of national interest, especially among PNNL’s core pursuits—energy, the environment, national security, and fundamental science.


New Deep Learning Project Launches at PNNL

DOE’s Office of Advanced Scientific Computing Research recently awarded project funding for Convergence of Deep Learning and Machine Learning for HPC Modeling and Simulation. The project will focus on developing extreme-scale Deep Learning algorithms. According to Abhinav Vishnu, who will serve as the project’s principal investigator: “a significant innovation for further advancing Deep Learning will come from high-performance computing, and this project will play a critical role in achieving that objective.”  


CENATE Adds Powerful Testbed from NVIDIA

PNNL’s Center for Advanced Technology Evaluation, known as CENATE, recently expanded its capabilities for measuring and modeling advanced technologies with the addition of a leading-edge DGX-1 system from NVIDIA Corp. Billed as “the world’s first deep-learning supercomputer,” the DGX-1 testbed complements the slate of systems and testbeds being used to measure, model, and design technologies that will impact future large-scale high-performance computers.


Global Arrays Gets an Update from PNNL and Intel Corp.

Scientists Jeff Daily, Abhinav Vishnu, and Bruce Palmer, all from the ACMD Division High Performance Computing group, served as the core team for a new release of the Global Arrays (GA) toolkit, known as Version 5.5. GA 5.5 provides additional support and bug fixes for the parallel programing model that originally was developed in the late 1990s at PNNL. The updates to GA 5.5 resulted from a coordinated effort between the GA team and Intel Corp.


Launching a New Era for NWChem

NWChemEx: Tackling Chemical, Materials and Biomolecular Challenges in the Exascale Era was recently selected as a four-year project for the national Exascale Computing Project, known as ECP. NWChemEx will enhance the popular computational chemistry code, NWChem, to dramatically improve its scalability, performance, extensibility, and portability to take full advantage of exascale computing technologies. Dr. Thom Dunning, a Battelle Fellow with the University of Washington-PNNL Northwest Institute for Advanced Computing, is NWChemEx’s Project Director.


Kerbyson Recognized for ‘Outstanding Service’ to IEEE Conference

For his work as the Program Co-chair of the 11th IEEE International Conference on Networking, Architecture, and Storage, known as NAS 2016, Darren Kerbyson, Associate Division Director of PNNL’s High Performance Computing group and Laboratory Fellow, was honored with an Outstanding Service award. IEEE NAS 2016’s General Chair Zizhong Chen (University of California, Riverside) presented the award as part of the conference activities.

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