Dr. Furlani serves as Director of the University at Buffalo's Center for Computational Research, a leading academic supercomputing center. As Director of CCR, Dr. Thomas Furlani, whose Ph.D. is in Computational Chemistry, manages the day-to-day operations of the center as well as oversees its research activities. CCR maintains an extensive array of computing resources, including an 8000 core Linux cluster and GPU based cluster. The total aggregate compute capacity of the center is more than 100 Tflop/s. One of the primary focuses of CCR is to support the New York State Center of Excellence in Bioinformatics and Life Sciences, which is comprised of UB, the Roswell Park Cancer Institute, and the Hauptman-Woodward Medical Research Institute. CCR provides several layers of support for the life sciences/bioinformatics initiatives, including access to specialized hardware and software to facilitate research, the development of customized software/databases to support data analysis (ex, REDFly), individual and group training on software packages supported by CCR, and collaboration with CCR staff to facilitate research and for proposal development.
A National Science Foundation Pre-doctoral Fellow, Dr. Furlani has more than 25 years experience in research computing and visualization, including high-performance computing, computational chemistry, and cloud computing. In addition to supporting research, Education and Outreach has been an important component of CCR's mission since its inception, with on-going K-12, undergraduate and graduate level programs. In terms of K-12 outreach, CCR each year runs the Eric Pitman Annual Summer Workshop in Computational Science. Every summer, high school sophomores, juniors, and seniors spend two weeks learning computer programming and its application to problems in chemistry, visualization, and most recently bioinformatics.
HPC Metrics on Demand: Development of metrics and auditing framework for high performance computing systems.
Our research interests lie in the development of a software framework that can be utilized by high performance computing centers, including those supported by the NSF XSEDE program, to provide metrics regarding resource utilization, resource performance, and the center's impact in terms of scholarship and research. The role-based auditing framework is designed to meet the following objectives: (1) provide the user community with an easy to use tool to oversee their allocations and optimize their use of resources, (2) provide staff with a diagnostic tool to monitor and tune resource performance for the benefit of the users, (3) provide senior management with a tool to easily monitor utilization, user base, and performance of resources, and (4) help ensure that the resources are effectively enabling research and scholarship. Through the XDMoD (XSEDE Metrics on Demand) portal, XSEDE users, service providers, management, and NSF leadership are able to easily access detailed information utilization and performance information on XSEDE resources. In addition, a preliminary open source package, UBMoD (UB Metrics on Demand), has been used successfully at CCR and other academic HPC centers for several years and is available for download at http://ubmod.sourceforge.net/.
Research on the application of Green Technologies to reduce HPC center operational costs.
Our research interests lie in the implementation of state-of-the-art green technologies to reduce operational costs in high performance computing centers. An initial phase (CCR Green IT) focuses on server efficiencies while subsequent phases are focused on more efficient cooling technologies as well as a implementation of a data center monitoring system to dynamically control the data center environment to optimize energy efficiency.
Molecular electronic structure theory, algorithms for parallel computers, molecular cluster chemistry.
Our research interests are in the development and application of computational methods which can be utilized to study structure and reactivity in molecular systems. Areas of interest are as follows:
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