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SUMMARY:Dynamical Features of Complex Systems: A Molecular Simulation Stud
 y
DTSTART;VALUE=DATE-TIME:20121017T123000Z
DTEND;VALUE=DATE-TIME:20121017T130000Z
DTSTAMP;VALUE=DATE-TIME:20261011T051835Z
UID:indico-contribution-98-164@indico.ipb.ac.rs
DESCRIPTION:Speakers: Hrachya ASTSATRYAN (Head of HPC Laboratory\, Institu
 te for Informatics and Automation Problems of the National Academy of Scie
 nces of Armenia)\nThe parallel molecular dynamics simulation of complex mi
 cellar system consisting of long hydrocarbon chain surfactant was carried 
 out. The GROMACS software package\, which is designed for high-performance
  simulation of large complex system\, was applied. The simulations were pa
 ralell on Bulgarian BlueGene/P supermachine. The goal of this paper is the
  detail analysis of surfactant molecules in complex system. The initially 
 random distributed surfactant molecules in aqueous solute hydration have b
 een simulated using GROMOS united atom force field. The computation was ca
 rried out on BlueGene/P supermachine using from 256 to 1024 processors. Th
 e estimated benchmarks show about 0.5ns per day optimized by 512 processor
 s. It should be noted that the further increase of processors (for instanc
 e\, 1024 processors) do not lead to significant increase in benchmarking v
 alue and therefore 512 processors were chosen for final run. The received 
 data shows that the long hydrocarbon chain surfactant self-assemble into s
 mall oligomers since 50ns of simulation run\, meanwhile in our previous st
 udy with surfactant rich content shows that 43ns is enough for self-assemb
 ling of spherical micelle. It is planning to continue the simulation to se
 e the self-assembling process of huge complex systems.\n\nhttps://events.s
 aifa.rs/event/291/contributions/164/
LOCATION:National Library of Serbia
URL:https://events.saifa.rs/event/291/contributions/164/
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SUMMARY:Parallellizing computational models of memory function for the inv
 estigation of sustained activity in the prefrontal cortex
DTSTART;VALUE=DATE-TIME:20121017T120000Z
DTEND;VALUE=DATE-TIME:20121017T123000Z
DTSTAMP;VALUE=DATE-TIME:20261011T051835Z
UID:indico-contribution-98-166@indico.ipb.ac.rs
DESCRIPTION:Speakers: Anastasis Oulas ()\nNeurons in the prefrontal cortex
  display sustained activity in response to environmental or internal stimu
 li\, that continues until the behavioral outcome or a reward signal arrive
 s. Large-scale modeling studies have proposed intensive recurrence and slo
 w excitation mediated by NMDA receptors as the mechanisms able to support 
 the sustained excitation in these neurons. In addition\, electrophysiologi
 cal studies suggest that single-cell intrinsic currents also underlie the 
 delayed excitation of prefrontal neurons. In order to study learning and m
 emory processes\, we develop detailed biophysical computational models of 
 small neural circuits of the prefrontal cortex (PFC). We use these models 
 in order to study the role of biophysical and anatomical mechanisms in the
  emergence and maintenance of sustained activity. Additionally\, we dissec
 t the contribution of different types of interneurons in this sustained ac
 tivity. This computational work provides (a) some of the most realistic bi
 ophysical models of neurons in the brain which are publicly available and 
 used by numerous labs worldwide and (b) generates interesting predictions 
 which steer the interest of the neuroscience community and open up new ave
 nues for experimental verifications. All of our models are developed withi
 n the open source Neuron simulation environment  and were parallelized for
  the HPCG Infrastructure provided by HP-SEE. Benchmarks  show a significan
 t speedup when simulations are run on parallel environments.\n\nhttps://ev
 ents.saifa.rs/event/291/contributions/166/
LOCATION:National Library of Serbia
URL:https://events.saifa.rs/event/291/contributions/166/
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