April 2013

Carlos Diaz at the Texas APS meeting in Stephenville

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Submitted by admin on Mon, 04/08/2013 - 12:52

Carlos Diaz presented a poster entitled: "Electronic structure of planar aggregates of boron clusters" at the Texas section of the APS meeting in Stephenville on April 5 2013.

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Fatemeh Amerikheirabadi at the Texas APS meeting in Stephenville

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Submitted by admin on Mon, 04/08/2013 - 12:57

Fatemeh Amerikheirabadi gave an oral presentation entitled:"Endohedral fullerene as acceptor: A DFT study on charge transfer states of Sc3N@C80-porphyrin complex" during the Texas section of the APS meeting in Stephenville on April 5 2013.

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Amanda Garnica at the Texas APS meeting in Stephenville

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Submitted by admin on Mon, 04/08/2013 - 13:01

Amanda Garnica presented a poster entitled: "Electronic Structure of Functionalized Dye-attached Fullerenes" during the meeting of the Texas APS section in Stephenville on April 5 2013.

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Luis Basurto at the Texas APS meeting in Stephenville

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Submitted by admin on Mon, 04/08/2013 - 13:03

Luis Basurto gave an oral presentation titled: "DFT Studies on Charge Transfer States of a Multi-chromophoric Organic Heptad Antenna." during the meeting of the Texas section of APS in Stephenville on April 5 2013.

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Starting calculation from SYMBOL file

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Submitted by admin on Thu, 04/11/2013 - 15:48

If you are starting a calculation from the SYMBOL file, you need to include in the directory where you will execute these additional files:

The binary file (cluster)
RUNS
ISYMGEN
GRPMAT
REPMAT
a job script if running in a remote cluster.
NRLMOL_INPUT.DAT (only if you need to request extra information to be calculated).
VMOLD (only if you do not want the program to generate a new mesh).
PSPINP (only if any of the atoms are using pseudo-potential: listed with BHS in the CLUSTER file)

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Carlos Diaz awarded best poster presentation

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Submitted by admin on Fri, 04/26/2013 - 11:02

Carlos Diaz was awarded best student poster at the 3rd annual Campus Office of Undergraduate Research Initiatives (COURI) symposium at UTEP on April 20, 2013.

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Dr. Zope attended a meeting in Jekyll island

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Submitted by admin on Thu, 04/25/2013 - 11:47

Dr. Zope attended the 5th Jekyll island cluster meeting in honor of professor Jena's brithday. Held in Jekyll island Georiga from April 21 to 25, 2013.

Several sicentists from around the world gathered there to congratulate Dr. Purusottam (Puru) Jena.
http://www.has.vcu.edu/phy/jenagroup/puru.htm

Dr. Zope gave a talk on density functional study of charged transfer states in molecular complexes.

Dr. Shiv Khanna gave a seminar in our department

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Submitted by admin on Mon, 04/29/2013 - 11:49

Dr. Shiv Khanna from Virginia Commonwealth University gave a talk in the physics department seminar on April 26, 2013.

His talk was entitled: "Superatoms: New Nanoscale Materials Using New Building Blocks"

http://www.people.vcu.edu/~khanna/

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