EGI-InSPIRE:Serbia-US-QR13

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Contents



Quarterly Report Number NGI Name Partner Name Author
QR13 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?
Dipolar Bose-Einstein Condensates in Weak Anisotropic Disorder Phys. Rev. A 88 (2013) 013624 DOI: 10.1103/PhysRevA.88.013624 1. B. Nikolic
2. A. Balaz
3. A. Pelster
Scaling Exponents and Phase Separation in a Nonlinear Network Model Inspired by the Gravitational Accretion Physica D 255 (2013) 52 DOI: 10.1016/j.physd.2013.04.004 1. A. Bogojevic
2. A. Balaz
3. A. Belic
Nonadiabatic Molecular Dynamics Simulation for Carrier Transport in a Pentathiophene Butyric Acid Monolayer Phys. Rev. B 87 (2013) 205117 DOI: 10.1103/PhysRevB.87.205117 1. J. Ren
2. N. Vukmirovic
3. L. W. Wang

2. ACTIVITY REPORT

2.1. User Support achievements

During Q13 the case study of a Serbian physicist Nenad Vukmirovic from the Institute of Physics Belgrade has been published on European Grid Infrastructure (EGI) web page (http://www.egi.eu/case-studies/eng_tech/semiconductor.html). His recent work, published in the Physical Review Letters, used NGI_AEGIS Grid computing resource to calculate how electrons interact with phonon waves.

Together with the S��erbian chemistry community, we have deployed SZMAP (http://www.eyesopen.com/SZMAP) application over the NGI_AEGIS. This OpenEye's application aims to help researchers to understand the role of water in molecular interactions such as ligand binding. In addition, previously installed OpenEye's applications EON is updated to the latest versions.

NGI_AEGIS Helpdesk (https://helpdesk.aegis.rs/) and NGI_AEGIS website (http://www.aegis.rs/) have been regularly maintained and updated in Q12. We have participated in testing of new GGUS releases and GGUS-NGI_AEGIS Helpdesk interface functionality.

2.2. Plans

During Q14, NGI_AEGIS software stack will be extended with the Rosetta (https://www.rosettacommons.org/home) - software suite for modeling macromolecular structures.

2.3. Issues and mitigation

Issue Description Mitigation Description


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