GREENCOMPUTING.GATECH.EDU

ccmst.gatech.edu

CCMST computational facilities

http://ccmst.gatech.edu//resources

The fgate cluster was purchased in 2007, and features 48 nodes for a total of 96 dual-core 2.66 GHz Intel Xeon processors, 288 GB of memory and 17 TB of disk space. Acquired in 2004, egate is a 77-node Linux cluster with a total of 154 3.2 GHz Intel Xeon processor, 340 GB of memory and 18 TB of disk space. The nodes are connected by an Infiniband fabric. LEGAL and PRIVACY INFORMATION. 2012 Georgia Institute of Technology. School of Chemistry and Biochemistry.

ccmst.gatech.edu

CCMST Members

http://ccmst.gatech.edu//people

School of Chemistry and Biochemistry. Georgia Institute of Technology. School of Chemistry and Biochemistry. Georgia Institute of Technology. School of Chemistry and Biochemistry. Georgia Institute of Technology. E-mail C. David Sherrill. School of Chemistry and Biochemistry. Georgia Institute of Technology. Office: MS&E 2100 H. LEGAL and PRIVACY INFORMATION. 2012 Georgia Institute of Technology. School of Chemistry and Biochemistry. Center for Computational Molecular Science and Technology.

ccmst.gatech.edu

Center for Computational Molecular Science and Technology

http://ccmst.gatech.edu/index.php?imgid=311

Center for Computational Molecular Science and Technology. Image 16 of 22. Established in 2000, the CCMST provides computer power for collaborative and individual computational projects of over 50 experimentalists and theoreticians in the school and on campus, hosts computational chemistry classes and workshops, and occasionally supports out-of-campus users on collaborative research projects. Please visit the research page. For a description of current projects at the center. Tip of the Week.

ccmst.gatech.edu

CCMST 2015 News

http://ccmst.gatech.edu/news/view.php?year=2015

LEGAL and PRIVACY INFORMATION. 2012 Georgia Institute of Technology. School of Chemistry and Biochemistry. Center for Computational Molecular Science and Technology. Molecular Sciences and Engineering Building, 901 Atlantic Drive NW, Atlanta, Georgia 30332-0400.

ccmst.gatech.edu

CCMST News - CCMST Weekly News, May 11 2012

http://ccmst.gatech.edu/news/show_details.php?id=574

CCMST Weekly News, May 11 2012. May 11, 2012 4:46 pm EDT. 2 Tip of the Week. May 25, 2012 11:00 am - 12:00 am. Alejandro Briseno, University of Massachusetts. The Oligomer Approach Towards Understanding Crystallization of Polyalkylthiophene Semiconductors. TIP OF THE WEEK. Following Ggate reinstall, the version of Moab running on ggate has been upgrade, thus some new scheduler features that up to now were only available on egate and ggate can now be used on ggate too. Here is a brief recap:. The total nu...

ccmst.gatech.edu

Center for Computational Molecular Science and Technology

http://ccmst.gatech.edu/index.php?imgid=331

Center for Computational Molecular Science and Technology. Image 14 of 22. Established in 2000, the CCMST provides computer power for collaborative and individual computational projects of over 50 experimentalists and theoreticians in the school and on campus, hosts computational chemistry classes and workshops, and occasionally supports out-of-campus users on collaborative research projects. Please visit the research page. For a description of current projects at the center. Tip of the Week.

ccmst.gatech.edu

CCMST 2015 Announcements

http://ccmst.gatech.edu/announce/view.php?year=2015

LEGAL and PRIVACY INFORMATION. 2012 Georgia Institute of Technology. School of Chemistry and Biochemistry. Center for Computational Molecular Science and Technology. Molecular Sciences and Engineering Building, 901 Atlantic Drive NW, Atlanta, Georgia 30332-0400.

ccmst.gatech.edu

CCMST Announcements - Green Computing at CCMST

http://ccmst.gatech.edu/announce/show_details.php?id=11

Green Computing at CCMST. August 23, 2010 4:45 pm EDT. We are pleased to announce that the CCMST grant proposal "CRIF:MU Acquisition of a Computer Cluster for Green Energy Research" has been funded by the Division of Chemistry of the National Science Foundation. This is the first green computing initiative funded by the NSF CRIF program. The grant will allow us to acquire Green Gate, an innovative computer system designed for both high computational power and high energy efficiency.

ccmst.gatech.edu

CCMST News - CCMST Weekly News, May 18 2012

http://ccmst.gatech.edu/news/show_details.php?id=575

CCMST Weekly News, May 18 2012. May 18, 2012 5:51 pm EDT. 2 Tip of the Week. May 25, 2012 11:00 am - 12:00 am. Alejandro Briseno, University of Massachusetts. The Oligomer Approach Towards Understanding Crystallization of Polyalkylthiophene Semiconductors. TIP OF THE WEEK. The following versions of python are currently available on ggate:. Python 2.4 (default version) including numpy and scipy. This is the default version of python, and is available using the command. LEGAL and PRIVACY INFORMATION.

ccmst.gatech.edu

CCMST Publications

http://ccmst.gatech.edu//publications

Diffusional effects on the reversible excited-state proton transfer. From experiments to Brownian dynamics simulations. A V Popov, EA Gould, M. A. Salvitti, R. Hernandez and K. M. Solntsev. Physical Chemistry Chemical Physics. Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals. L A Burns, A. Vazquez-Mayagoitia, B. G. sumpter and C. D. Sherrill. Journal Of Chemical Physics. Orbital...