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|Quarterly Report Number||NGI Name||Partner Name||Author|
|QR10||NGI_AEGIS||Institute of Physics Belgrade||Dusan Vudragovic|
1. MEETINGS AND DISSEMINATION
1.1. CONFERENCES/WORKSHOPS ORGANISED
|Date||Location||Title||Participants||Outcome (Short report & Indico URL)|
|Publication title||Journal / Proceedings title||Journal references
Pages from - to
|From Percolating to Dense Random Stick Networks: Conductivity Model Investigation||Phys. Rev. B||86 (2012) 134202; DOI: 10.1103/PhysRevB.86.134202||1. M. Zezelj 2.|
I. E. Stankovic
|Insights into the Charge Carrier Terahertz Mobility in Polyfluorenes from Large-Scale Atomistic Simulations and Time-Resolved Terahertz Spectroscopy||J. Phys. Chem. C||116 (2012) 19665; DOI: 10.1021/jp3055262||1. N. Vukmirovic|
2. C. S. Ponseca Jr.
3. H. Nemec
|Electron-Phonon Coupling in Crystalline Organic Semiconductors: Microscopic Evidence for Nonpolaronic Charge Carriers||Phys. Rev. Lett.||109 (2012) 126407; DOI: 10.1103/PhysRevLett.109.126407||1. N. Vukmirovic|
2. C. Bruder
3. V. M. Stojanovic
|Electron and Hole Contributions to the Terahertz Photoconductivity of a Conjugated Polymer: Fullerene Blend Identified||J. Phys. Chem. Lett||3 (2012) 2242; DOI: 10.1021/jz301013u||1. C. S. Ponseca, Jr.|
2. H. Nemec
3. N. Vukmirovic
|Disordering of the Correlated State of the Quantum Hall Bilayer at Filling Factor ν = 1||Mod. Phys. Lett. B||26 (2012) 1250134; DOI: 10.1142/S0217984912501345||1. Z. Papic|
2. M. V. Milovanovic
2. ACTIVITY REPORT
2.1. User Support achievements
In Q10 NGI_AEGIS Support Team has continued to support Serbian Grid community in the use of already ported Grid applications and in gridification of new applications.
In particular, SZYBKI package from OpenEye software has been deployed at the AEGIS01-IPB-SCL Grid site. This package optimizes molecular structures with the Merck Molecular Force Field, either with or without solvent effect, to yield quality 3D molecular structures for use as input to other programs. In addition to this, on the request of Serbian computational chemistry community, the latest version of NAMD software (molecular dynamics) has been deployed.
As a good example of how Grid technology can improve research, the article "Are comets born in asteroid collisions?" has been published in the case study section of EGI.eu web site (http://www.egi.eu/cms/case-studies/main-belt_comets.html). It features a Serbian scientist Bojan Novakovic, an astronomer from Belgrade who used NGI_AEGIS Grid infrastructure to explain the origins of main-belt comets.
In this period, NGI_AEGIS Helpdesk (https://helpdesk.aegis.rs/) and NGI_AEGIS website (http://www.aegis.rs/) have been regularly maintained and updated. Our user support team continued to participate in testing of GGUS-NGI_AEGIS Helpdesk interface functionality after each new GGUS release.
Porting of several software packages to NGI-AEGIS Grid infrastructure is in progress, and few of them will be completed in the next quarter. In addition to this, we plan to organize Grid training event for NGI_AEGIS site administrators. The aim of this training will be clarification of doubts related to administration of EMI-2/UMD-2 services.
2.3. Issues and mitigation
|Issue Description||Mitigation Description|