Titlebook: High-Performance Computing Infrastructure for South East Europe‘s Research Communities; Results of the HP-SE Mihnea Dulea,Aneta Karaivanova

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Modelling of Disaster Spreading Dynamics,derstanding of disaster spreading in various networks. The structure of the networks in this work is obtained either through neighbor analysis in real space or using models which reproduce generic features of real networks (i.e., power, telecommunication, or road networks). Our investigations are fo

歹徒

手榴弹

intangibility

Self-Avoiding Hamiltonian Walks Counting in Parallel Processing Mode,(HWs) on the family of two-dimensional modified Sierpinski gasket fractals, as a simple model for compact polymers in nonhomogeneous media in two dimensions. We apply an exact recursive method which allows for explicit enumeration of extremely long Hamiltonian walks of different types: closed and op

Lipoma

GILD

Dynamics of Uninhibited and Covalently Inhibited Cysteine Protease on Non-physiological pH,e, isolated from the fruit, were experimentally observed. We employed molecular dynamics simulations of proteins modeled from the similar ones with known 3D structure to explain experimental findings. Simulations were performed with NAMD, using CHARMM force field in explicit solvent model. Conformat

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鉴赏家

Some Aspects of the Comparative Study of Semi-empirical Combustion Models on FLUENT and OpenFOAM Co partly StarCD Adapco software packages. Restrictions that were imposed by available resources and 32-bit architecture allowed us to simulate only a small segment on the assumption of complete radial symmetry. In HP-SEE project we used available supercomputers and simulated the full cross section of

帐单

,Development of a Hybrid Statistical Physics – Quantum Mechanical Methodology for Computer Simulatiotures has been developed and implemented on high-performance computing systems. The computational approach is robust and inherently sequential. First, the studied physico-chemical system is modeled by a statistical physics approach, either Monte Carlo (MC) or molecular dynamics (MD). Though in the f

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Solvatochromic Effect for the Denaturation and Mutation Processes in DNA: Computational Study,. For quantitative description of these processes, activation (ΔE.) and reaction (ΔE) energies of the proton transfer as well as lactam-lactim (K. .) and amino-imino (K. .) tautomeric equilibrium constants by the quantum-chemical DFT method are calculated. It is shown that decrease in the environmen