General Information

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Computational Science

With the huge amount of data involved in experiments at Brookhaven National Laboratory, extremely powerful computers are needed to conduct research in many areas of science. Brookhaven has a vast amount of computing power available to help researchers solve data-intensive problems.

Computing Power for Scientific Discovery

The Brookhaven Computational Science Center (CSC) brings together researchers in biology, chemistry, physics and medicine with applied mathematicians and computer scientists to take advantage of the new opportunities for scientific discovery made possible by modern computers. In support of this, the center has a close alliance with applied mathematicians and computer scientists at Stony Brook University and Columbia University. The CSC is a key resource of the New York Center for Computational Sciences, a joint venture between Brookhaven National Laboratory and Stony Brook University's Institute for Advanced Computational Science.

At the CSC, computer clusters running the Linux operating system – typically containing 100 to 200 processors – are currently available for performing scientific calculations for Brookhaven researchers and their collaborators.

HPC Code Center

The HPC Code Center is a central resource where domain scientists can bring their codes, or ideas for codes, and have those parallelized efficiently on High Performance Computing platforms. The HPC Code center ports, tunes, runs and maintains BNL used application codes on BlueGene/Q, clusters with accelerators, general linux clusters, and leadership facilities.

To submit a request for the HPC code center, please fill our online web form. One of our staff will contact you about your proposed project. Please contact Nicholas D'Imperio (dimperio@bnl.gov) if you have any questions.

New York Blue Supercomputer

Supported by a $26-million grant from New York State, Brookhaven Lab and Stony Brook University host IBM Blue Gene/P machines known collectively as New York Blue. New York Blue is the centerpiece for the New York Center for Computational Sciences, which fosters research collaborations among research institutions, universities and companies throughout New York State. Brookhaven Lab is among the academic and industrial users of the facility that perform research in a wide variety of sciences, including biology, medicine, materials science, nanoscience, renewable energy, finance and technology.

The Blue Gene/P has one rack and can run threaded codes.

Blue Gene/Q

The CSC also hosts two Blue Gene/Q  research supercomputers: a 1-rack IBM Blue Gene/Q  for general purpose research that boasts 16 cores per compute node, links together 16384 processors, runs threaded code, has total peak performance of 200 teraflop, and placed fifth on the June 2012 Graph 500 benchmark list; and a 2-rack IBM Blue Gene/Q for use by the BNL Riken Research Center..

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Research Programs Supported by the CSC

Biological and Environmental Research
(BER)

The DOE Systems Biology Knowledgebase (KBase) is a collaborative effort designed to accelerate our understanding of plants, microbes, and microbial communities. KBase will offer free and open access to data, models and simulations, enabling scientists and researchers to build new knowledge and share their findings.

Computational Science Center of Brookhaven’s role is to support KBase plant and general computational infrastructure needs. Computational Infrastructure  supports include maintaining BNL KBase clusters, BNL cloud computing supports, high speed data transport among four KBase nodes, and developing KBase persistent storage solutions. Plant science supports focused on plant network analysis, including (bi-)clustering algorithms, co-expression network analysis, micro-array expression data analysis, filtering / recommendations of relevant genes from all available network information such as expression profiles, GWAS (Genome Wide Association Study), functional associations, and regulatory networks.

Advanced Scientific Computing Research (ASCR)

The Computer Science Group of CSC conducts research in networking and data mining. In networking the group's research focuses on middleware and algorithms for resource reservation and virtualization in cutting-edge high-performance networks Also, new data transfer protocols at 100 Gbps speeds based on RDMA technology. In data mining the group's interests include solar radiation prediction and forecast in different time scales ranging from a few minutes to one day using a variety of observation data from satellite, weather, and sky images.

Applied Mathematics

Headed by Roman Samulak and James Glimm of Stony Brook University, research in this area focuses on various projects associated with quantum dots, short term weather forecasting, turbulent mixing and quantitative finance. Details

Basic Energy Sciences (BES)
Materials Science

 Research in the computational materials science program is focused on developing and applying advanced theoretical and computational tools to investigate the structural, energetic, vibrational, electronic and spectroscopic properties of nanostructures, surfaces and interfaces for use in advanced materials and energy applications. This program is highly interdisciplinary and explores a variety of research topics and applications in physics, chemistry, materials science and biology, such as green chemistry based on cellulose materials, electronic band structure engineering of semiconductor photoelectrode materials, structural determination and spectroscopic properties of semiconductor quantum dots,  and noble metal nanoparticles for energy and environmental applications.

The Computational Science Center is part of the Environmental, Biological, and Computational Sciences Directorate at Brookhaven National Laboratory.