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

High performance computing was used to design cost-effective systems to safeguard the nation’s groundwater supplies from contaminated sites. The search procedures and tools that come from this research can be tailored to a wide variety of geoscience challenges.

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.

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

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.

Dr. Richelle Allen-Kin (Department of Geology) is working to systematically evaluate the relative impacts of soil and sorption heterogeneity on contaminant storage and removal in sedimentary aquifers.

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.

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

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.

This project seeks to understand how retinal ganglion cells are generated and maintained. The knowledge obtained from this study will serve as guidance in future endeavors to develop preventive and therapeutic measures for diseases such as glaucoma & optic neuritis.

CCR is collaborating with researchers at the Hauptman Woodward Medical Research Institute (HWI) to develop an expert crystallization knowledge system built upon the vast library of historical data from crystallization experiments.

SUNY Oneonta and CCR unite to support the analysis of large datasets by social science students. Using the VIDIA platform, Oneonta has integrated the analysis of large datasets into coursework in Sociology, Poli Sci and Philosophy.

CCR was awarded three grants in 2012-13 from the New York State Energy Research and Development Authority (NYSERDA) for energy-efficiency upgrades to the compute infrastructure.

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.

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.

A collaboration with the UB Admissions & Communications departments resulted in 3D models of all 3 UB campuses and an app for iPhone/iPad devices allowing prospective students from all over world to tour UB without leaving home

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