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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.

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Captured by the Game

As the volume and intensity of cybersecurity incidents continue to escalate, anticipating and combating cyber attacks are increasingly critical. In ongoing work involving game theory conducted as part of PNNL’s Asymmetric Resilient Cybersecurity initiative, an award-winning team from the Laboratory’s National Security and Advanced Computing research areas presents a probabilistic modeling framework for representing and propagating uncertainties in cyber attacker payoffs with the added goal of increasing awareness about this problem domain. Ultimately, mathematical models, such as the proposed framework, will assist decision-makers in strategic planning to support effective and preemptive cyber system defense.



Expanding ‘Computing Frontiers’

Antonino Tumeo, a senior research scientist with the High Performance Computing group, and John Feo, co-director of the Northwest Institute for Advanced Computing, are part of the leadership team tasked with organizing the upcoming Association for Computing Machinery International Conference on Computing Frontiers 2016. The conference, to be held in Como, Italy in May 2016, aims to identify revolutionary materials, devices, and systems that challenge the current state of the art and push the envelope in a range of computing topics. Papers are being accepted for the conference through Friday, Jan. 15, 2016.



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Lou Terminello Elected AAAS Fellow

Congratulations to Lou Terminello on being elected a Fellow of the American Association for the Advancement of Science (AAAS), the world's largest general scientific society. Terminello, acting associate director of PNNL's Physical & Computational Sciences, was recognized for "innovations in synchrotron radiation spectroscopy research in revealing electronic and atomic structure of new materials; and strategic leadership in the field of chemical imaging."



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Chapter on Global Arrays Part of New Parallel Computing Tome

Sriram Krishnamoorthy, Jeff Daily, Abhinav Vishnu, and Bruce Palmer, all research scientists with the High Performance Computing group, contributed a chapter to the recently published book, Programming Models for Parallel Computing (The MIT Press). The chapter, titled “Global Arrays,” describes the origins of the distributed-memory programming model as a communication layer for the NWChem modeling code that performs quantum chemistry calculations along with its current capability in developing high-performance parallel programs, such as for STOMP and GridPACK™.



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Sriram Krishnamoorthy named Associate Editor of Journal of Parallel and Distributed Computing

Sriram Krishnamoorthy, a research scientist and the System Software and Applications Team Leader in PNNL’s High Performance Computing group, recently joined the editorial group of the Journal of Parallel and Distributed Computing, an international publication that features original research and review articles focused on parallel processing and distributed computing research. Krishnamoorthy now is part of the 66-member, international associate editorial team, featuring diverse representatives from DOE national laboratories, academia, and industry.



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