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mathematical sciences, Computational Sciences & Mathematics

With multidisciplinary expertise spanning technical pillars of high-performance computing, data science, and computational mathematics, 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.


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 Project Director for the NWChemEx project.


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.

Charting an ‘Irregular’ Evolution

Antonino Tumeo, a senior scientist with PNNL’s High Performance Computing group, and John Feo, the current co-director of the Northwest Institute for Advanced Computing, will serve as co-editors for a special issue of the Journal of Parallel and Distributed Computing. The “Special Issue on Systems for Learning, Inferencing, and Discovering (SLID)” will explore solutions for supporting efficient execution of irregular applications. To encourage submissions, a Call for Papers,  examining theoretical and practical topics are of interest, has been issued.


They've Still Got 'Game'

In the current issue of SIAM News, authors Samrat Chatterjee, Mahantesh Halappanavar, Ramakrishna Tipireddy, and Matthew Oster showcase their progressive and ongoing work involving game-theoretic and uncertainty quantification methods in the Research Spotlight article, “Game Theory and Uncertainty Quantification for Cyber Defense Applications.”


Abhinav Vishnu named Co-Editor for Parallel Computing Special Issue

Abhinav Vishnu, a research scientist with PNNL’s High Performance Computing group, recently was tapped as a co-editor of a forthcoming special issue of Parallel Computing, sometimes referred to as “ParCo,” that will focus on “Parallel Programming Models and Systems Software.” The issue will explore applications and techniques related to programming, operating, and managing parallel computing systems, including how parallel processes communicate and execute on high-end computing architectures. Abhinav will share editing duties with Pavan Balaji, of Argonne National Laboratory, and Yong Chen, from Texas Tech University.

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