Research & Innovation

The primary mission of the Center for Computational Research is to enable research and scholarship at UB by providing faculty, staff, and students with access to high-performance computing and visualization resources, including staff with expertise in computational science, parallel computing, software development, advanced database engineering, graphical user interfaces, portal design, bioinformatics, advanced data analytics and data driven science. 


Highlights of Research Facilitated by CCR Resources:

This section highlights just a few of the many research projects currently utilizing our resources.  We love hearing about the research being done on our systems!  Please contact us to be featured on our website


Professor Paul DesJardin of the Mechanical and Aerospace Engineering Department and CCR user, employs computational fluid dynamics to develop a better understanding of the turbulent flow for improved predictions of fire intensity and growth.


Software and a website developed at CCR, miRdSNP, aim to enable researchers to further explore the effects of SNPs on micro-RNA binding in relation to human diseases by providing a database of manually curated disease-associated SNPs from the available literature


Sentient Science uses CCR cluster to advance its ability to create computational simulations of mechanical devices


Chemistry professor and CCR user, Jochen Autschbach, is a co-author of a paper that reports a major breakthrough regarding the properties of a catalyst that chemists have been seeking for decades.


CCR and Q-Chem scientists hope to better understand the mechanism by which complex molecular structures operate by the development and application of advanced quantum chemistry based computational methods


Distinguished Research Professor of Chemistry and CCR user, Philip Coppens was honored by the Chemistry and Engineering News when they selected his work as one of the top 10 most important structures in the 100 year history of x-ray crystallography.


CCR in collaboration with Roswell Park Cancer Institute, Hauptman-Woodward Institute, and others offer a 2 week intensive workshop for high school students every summer.


NSF has awarded a 5 yr grant renewal to CCR to continue development of tools & services to monitor and audit XSEDE cyberinfrastructure.


REDfly seeks to include all experimentally verified fly regulatory elements along with their DNA sequence, their associated genes, and the expression patterns they direct. Dr. Marc Halfon (Biochemistry) and CCR have built a valuable tool for the research community.


The goal of VHub is to provide a mechanism for globally collaborative research and development of computational models of volcanic processes and their integration with complex geospatial, observational, and experimental data.