The Computer Science and Mathematics Division (CSMD) is ORNL's premier source of basic and applied research in high-performance computing, applied mathematics, and intelligent systems. Basic and applied research programs are focused on computational sciences, intelligent systems, and information technologies.

Our mission includes working on important national priorities with advanced computing systems, working cooperatively with U.S. Industry to enable efficient, cost-competitive design, and working with universities to enhance science education and scientific awareness. Our researchers are finding new ways to solve problems beyond the reach of most computers and are putting powerful software tools into the hands of students, teachers, government researchers, and industrial scientists.


Call for ORNL software for spring expo

The Computer Science Research group invites ORNL employees to the Software Expo, a celebration of software development heritage and community. The event will be held in the JICS Atrium on May 7, from 9 a.m. to noon. The expo will feature ORNL employees' unclassified software projects, ranging from scientific projects to business applications. Registration is open to all ORNL employees. Each entry will receive a site for a poster, and laptop demonstrations are also encouraged. The session will include a keynote address and other speakers with information on releasing open source software through the lab. The deadline to register is April 16. To register, visit https://www.surveymonkey.com/s/JXGVKWL or search #ORNLExpo on Twitter.

For more information, email ornl-software-expo@ornl.gov

Intern Roisin Langan wins best abstract award at student poster session

Roisin Langan, an intern at Oak Ridge National Laboratory (ORNL), spent last summer improving the ability of climate models to predict the variability and extremes of precipitation. With guidance from her mentors, Richard Archibald and Kate Evans of ORNL's Climate Change Science Institute, Langan analyzed data generated on the Oak Ridge Leadership Computing Facility's Titan supercomputer. Her project, titled "Stochastic Representation of Unresolved Processes in Climate Models," garnered attention labwide, winning the best abstract award at ORNL's Research Alliance in Math and Science (RAMS) banquet, a student poster session held August 8. Research in this field could result in more accurate warning systems for extreme events, such as flooding, droughts, and heat waves, and help stakeholders plan economic and humanitarian relief efforts. "This experience helped me gain invaluable networking channels, experience, and instruction in effective scientific communication," said Langan, a recent graduate of the University of California, Santa Barbara. Now an intern through ORNL's Nuclear Engineering Science Laboratory Synthesis program, she hopes to enter a graduate program in computational science in fall 2014. - Jennifer Brouner
Caption: Gil Weigand, director of Strategic Programs in the Computing and Computational Sciences Directorate, presents Roisin Langan with the best abstract award at the RAMS banquet.
Photo credit: Jason Richards, ORNL.

2013 CSMD Annual Awards Announced

Each year CSMD recognizes its researchers whose work has been of particular note. This year's winners are:

Reuter Wins LDRD Poster Session

The Laboratory Directed R&D program's annual poster session for projects that are to be completed by the end of the fiscal year, September 30, was held in Building 5700's Main Street earlier this week. Principal investigators were on hand Wednesday to discuss their projects.

Of the 74 posters displayed, the LDRD Office selected the best poster in each of three categories: Seed Fund, Director's R&D Fund, and Fellowship (encompassing Weinberg and Wigner). Matthew G. Reuter of the Computer Science and Mathematics Division won the Fellowship category for a project titled "An Accurate and Efficient Computational Methodology for Simulating Disordered Nanoscale Materials."

Winning posters will be on display on Main Street through Tuesday, October 1.

Webster Appointed Science Fellow

Clayton Webster was selected as a Kavli Frontiers of Science Fellow in July, 2013, and asked to participate in the German-American Kavli Frontiers of Science symposium, which is jointly organized by the Alexander von Humboldt Foundation and the US National Academy of Sciences (NAS). The symposium brings together the very best young scientists to discuss exciting advances and opportunities in a broad range of disciplines. A committee of NAS members selects the participants from among young researchers who have already made recognized contributions to science, including highly cited papers and recipients of major fellowships and awards. These are highly interdisciplinary symposia emphasizing communication of a wide range of contemporary science topics across the traditional disciplines. [more]

Researchers Win Gauss Award

Three ORNL researchers were a part of the team that received international recognition. The team was given the Gauss Award at the International Supercomputing Conference (ISC) for the most outstanding paper in the field of scalable supercomputing. [more]

Keeneland Improves Analysis and Understanding

The Keeneland Project (a five-year Track 2D cooperative agreement awarded by the National Science Foundation (NSF) in 2009 for the deployment of an innovative high performance computing system in order to bring emerging architectures to the open science community.) has been credited with helping researchers analyze cancer tumors. Read the article HERE.

CSMD Researchers win two R&D 100 Awards

CSMD researchers have received two R&D 100 awards, presented each year by R&D Magazine in recognition of the year's most significant technological innovations. CSMD's two bring the Lab's total of R&D 100 awards for this year to six and to 179 since their inception in 1963.

V-shaped External Cavity Laser Diode Array, was developed by ORNL's Bo Liu, Yun Liu and Yehuda Braiman. By using a V-shaped external Talbot cavity and strategically placed micro-prism mirrors, ORNL researchers have created an efficient method to extract a high-quality laser beam from a broad-area laser array, resulting in a laser source with high brightness and wavelength tunability that has applications in spectroscopy, laser radar, material surface processing and optical communications, sensing and metrology.

Adaptable I/O System for Big Data, or ADIOS, was developed by ORNL, Georgia Institute of Technology, Rutgers University, and North Carolina State University. The ORNL team consists of Scott Klasky, Qing Liu, Norbert Podhorszki, Hasan Abbasi, Jeremy Logan, Roselyne Tchoua, Jong Youl Choi and Yuan Tian. ADIOS significantly reduces the input or output complexities encountered by scientists running on high performance computers, along with reducing their time to solution, which allows researchers to spend more time achieving scientific insight and less time managing data.

Science Highlights

Tamper-indicating Quantum Seals

CSMD, CSED, and MSSED researchers have developed a new technology for the technical verification of non-proliferation treaties. With support from the Defense Threat Reduction Agency (DTRA), the CSMD-led team has deployed quantum information concepts to detect when an intruder tampers with a sealed targets. This is a particular concern for treaty inspectors that need to confirm that the containment and surveillance of a special nuclear material has been uninterrupted. The novelty of the ORNL approach is to use quantum entanglement, a quantum mechanical feature that describes how two spatially disparate systems can exhibit seemingly strong correlations in their behaviors. The ORNL team has now leveraged those effects alongside the no-cloning principle to detect when an intruder is present, thus closing a vulnerability in existing tamper-indication technology. [more]

Software-defined Quantum Communication

CSMD researches have developed a new paradigm for leveraging the benefits of quantum communication. While quantum communication protocols like teleportation, entanglement swapping, and QKD are exciting possibilities for today's quantum communication engineers, these protocols are often exotic and unfamiliar to the end user. In addition, protocol implementation is often tightly coupled to the underlying physics, which makes tuning or reconfiguring the communication system difficult and costly. [more]

Adiabatic Quantum Programming

With the availability of first generation quantum computers, questions of programming and benchmarking are at the forefront of quantum computer science. A recent CMSD-led effort is helping address these questions by developing an integrated development environment for quantum computing. [more]

Nuclear Mass Dataset Dissemination and Analysis with the Nuclear Masses Toolkit and nuclearmasses.org

A knowledge of the masses of subatomic nuclei forms a crucial foundation for research in basic and applied nuclear science, as well as in astrophysics. New accelerator facilities and new detection systems have enabled researchers around the world to make more, and much more precise, nuclear mass measurements. In late 2012, a new Atomic Mass Evaluation was released, the first in a decade, that included all of this new information. However, the dissemination of these new masses (as an 850-page paper or as one enormous electronic table) has limited utility for researchers. Our Nuclear Masses Toolkit (NMT) provides the only online dissemination of these new masses whereby a ready comparison can be made with older masses and with the predictions of over 13 different theoretical mass models. [more]

Electronic control over molecular self-assembly and polymerization

CSMD and CNMS researchers Qing Li, Jonathan Owens, Chengbo Han, Bobby G. Sumpter, Wenchang Lu, Jerry Bernholc, Vincent Meunier, Petro Maksymovych, Miguel Fuentes-Cabrera, and Minghu Pan have demonstrated a non-thermal, electron-induced approach to the self-assembly of phenylacetylene molecules on gold that allows for a previously unachievable attachment of the molecules to the surface through the alkyne group and further controllable surface-coordinated linear polymerization of long-chain poly(phenylacetylenyl)s that are self-organized into a "circuit-board" pattern. [more]

New Version of C3

A new version of the Cluster Command Control (C3) tools has been released. The C3 tools are used as a core piece of the OSCAR cluster management suite, which has been updated to support the latest Ubuntu Linux distribution. These updated cluster tools are used internally by members of Computer Science Research to maintain group machines. They are also used stand-alone by a variety of users from industry, academia and laboratories. [more]

Edge-Edge Interactions in Stacked Graphene Nanoplatelets

CSMD researcher Bobby Sumpter was part of a team whose work on graphene platelets was published in the American Chemical Society's ACSNano Journal. [more]


May 8, 2014 - Jerry McMahan: Bayesian Inverse Problems for Uncertainty Quantification: Prediction with Model Discrepancy and a Verification Framework

May 14, 2014 - Michael Bauer: Programming Distributed Heterogeneous Architectures with Logical Regions