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<!-- VERY IMPORTANT | <!-- VERY IMPORTANT | ||
This report covers support activities to existing user communities, and belongs to EGI-InSPIRE SA1 (Task SA1.7 - Support Teams). The outreach to new communities activities that NGIs perform under NA2 are gathered through the Virtual Teams. However, there may be outreach activities that do outside of VTs. You can report about these in your 2.2.3 paragraph as well. | This report covers support activities to existing user communities, and belongs to EGI-InSPIRE SA1 (Task SA1.7 - Support Teams). The outreach to new communities activities that NGIs perform under NA2 are gathered through the Virtual Teams. However, there may be outreach activities that do outside of VTs. You can report about these in your 2.2.3 paragraph as well. | ||
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!scope="col"| Author | !scope="col"| Author | ||
|- | |- | ||
| | |QR10 | ||
|NGI_AEGIS | |NGI_AEGIS | ||
|Institute of Physics Belgrade | |Institute of Physics Belgrade | ||
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|- | |- | ||
!scope="col"|Publication title||Journal / Proceedings title||align="left" |Journal references<br> ''Volume number<br> Issue<br><br>Pages from - to''||align="left" |Authors ''<br>1.<br>2.<br>3.<br>Et al?'' | !scope="col"|Publication title||Journal / Proceedings title||align="left" |Journal references<br> ''Volume number<br> Issue<br><br>Pages from - to''||align="left" |Authors ''<br>1.<br>2.<br>3.<br>Et al?'' | ||
|- | |||
| From Percolating to Dense Random Stick Networks: Conductivity Model Investigation | |||
| Phys. Rev. B | |||
| 86 (2012) 134202; DOI: [http://dx.doi.org/10.1103/PhysRevB.86.134202 10.1103/PhysRevB.86.134202] | |||
| 1. M. Zezelj 2.<br>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: [http://dx.doi.org/10.1021/jp3055262 10.1021/jp3055262] | |||
| 1. N. Vukmirovic<br>2. C. S. Ponseca Jr.<br>3. H. Nemec<br>Et al. | |||
|- | |||
| Electron-Phonon Coupling in Crystalline Organic Semiconductors: Microscopic Evidence for Nonpolaronic Charge Carriers | |||
| Phys. Rev. Lett. | |||
| 109 (2012) 126407; DOI: [http://dx.doi.org/10.1103/PhysRevLett.109.126407 10.1103/PhysRevLett.109.126407] | |||
| 1. N. Vukmirovic<br>2. C. Bruder<br>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: [http://dx.doi.org/10.1021/jz301013u 10.1021/jz301013u] | |||
| 1. C. S. Ponseca, Jr.<br>2. H. Nemec<br>3. N. Vukmirovic<br>Et al. | |||
|- | |||
| Disordering of the Correlated State of the Quantum Hall Bilayer at Filling Factor ν = 1 | |||
| Mod. Phys. Lett. B | |||
| 26 (2012) 1250134; DOI: [http://dx.doi.org/10.1142/S0217984912501345 10.1142/S0217984912501345] | |||
| 1. Z. Papic<br>2. M. V. Milovanovic | |||
|- | |- | ||
|} | |} | ||
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===2.1. User Support achievements=== | ===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 | 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. | 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 | 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 | 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. | ||
===2.2. Plans=== | ===2.2. Plans=== | ||
Latest revision as of 11:41, 23 January 2015
| EGI Inspire Main page |
| Inspire reports menu: | Home • | SA1 weekly Reports • | SA1 Task QR Reports • | NGI QR Reports • | NGI QR User support Reports |
| 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) |
|---|---|---|---|---|
1.3. PUBLICATIONS
| Publication title | Journal / Proceedings title | Journal references Volume number Issue Pages from - to |
Authors 1. 2. 3. Et al? |
|---|---|---|---|
| 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 Et al. |
| 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 Et al. |
| 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.
2.2. Plans
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 |
|---|