Prof.
Victor Matveev
(JINR)
03/07/2017, 09:00
Prof.
Paolo Carloni
(Forschungszentrum Jülich GmbH)
03/07/2017, 09:30
Molecular dynamics simulations of proteins may differ by the granularity of the underlying force fields (from quantum to coarse grain). At times, it is very useful to combine different descriptions in a hybrid description. Here I will present recent hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) – and MM/coarse grain (CG) based investigations of targets for pharmaceutical intervention....
Prof.
Vladimir Voevodin
(Lomonosov Moscow State University, Research Computing Center)
03/07/2017, 10:00
Prof.
Boris Chetverushkin
(Keldysh Institute of Applied Mathematics, Moscow, Russia)
03/07/2017, 11:00
New approach to an obtaining of the equations of magnetic gas dynamics is offered. This approach is based on complex-valued locally Maxwellian distribution function. By means of the approach the equations of ideal magnetic gas dynamics are received. The analog of quasidynamic system of the equations is also constructed, describing magnetic and gasdynamic processes taking into account...
Prof.
Raytcho Lazarov
(Texas A&M University)
03/07/2017, 11:30
First, we shall make a short introduction the concepts of fractional calculus and differential equations of fractional order that include both, steady-state and time dependent problems. This type of problems arise in mathematical modeling of asymmetric super-diffusion processes in highly heterogeneous media.
Further, we shall present variational formulations of Petrov-Galerkin type for...
Prof.
Mikhail Ustinin
(Keldysh Institute of Applied Mathematics)
04/07/2017, 08:00
A method for the analysis of complex oscillating electrical systems was proposed [1], based on the multichannel measurements of magnetic field through the hundreds of seconds. Using whole registration time, the Fourier transform of the data is performed, leading to detailed spectra with many frequency components. Further analysis results in total decomposition of the system into functionally...
Prof.
Victor Lakhno
(Institute of Mathematical Problems of Biology of RAS, Pushchino, Russia)
04/07/2017, 08:30
Dynamical properties of electron motion in molecular chains are considered. The charge motion is described in terms of quantum mechanics, whereas vibrational degrees-of-freedom are treated both classically and quantum mechanically.
The dynamics of charge migration was modeled to calculate temperature dependencies of its thermodynamic equilibrium values such as energy and electronic heat...
Dr
Sergey Shirmovsky
(Theoretical and Nuclear Physics Cathedra, Far Eastern Federal University)
04/07/2017, 09:00
A model predicting the behavior of a hole acting on the DNA strand was investigated. The hole-DNA interaction on the basis of a quantum-classical, non-linear DNA single strand model was described. The fact that a DNA molecule is formed by a furanose ring as its sugar, phosphate group and bases was taken into consideration. Based on the model, results were obtained for the probability of a hole...
Dr
G. Vinogradov
(Tver State University, Tver, Russia)
04/07/2017, 10:30
The problem of constructing a choice model of an agent endogenously shaping purposes of his evolution is under debate. It is demonstrated that its solution requires the development of well-known methods of decision-making while taking into account the relation of action mode motivation to an agent's ambition to implement subjectively understood interests and the environment state. The latter...
Dr
Carlo Cannistraci
(Technische Universität Dresden)
04/07/2017, 11:00
Abstract
The talk will present our research at the Biomedical Cybernetics Group that I established about three years ago in Dresden. We adopt a transdisciplinary approach integrating information theory, machine learning and network science to investigate the physics of adaptive processes that characterize complex interacting systems at different scales, from molecules to ecosystems, with a...
Dr
SEBASTIEN INCERTI
(CNRS/IN2P3)
04/07/2017, 11:30
INTRODUCTION
Modeling accurately biological damage induced by ionizing radiation at the scale of the DNA molecule remains a major challenge of today’s radiobiology research (1). In order to provide the community with an easily accessible mechanistic simulation platform, the general purpose and open source “Geant4” Monte Carlo simulation toolkit (2) is being extended in the framework of the...
Prof.
Vladimir Melezhik
(Bogoliubov Laboratory of Theoretical Physics, JINR)
05/07/2017, 08:00
MATEMATICAL MODELING OF RESONANT PROCESSES IN CONFINED GEOMETRY OF ATOMIC AND ATOM-ION TRAPS
V.S. Melezhik
Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, Dubna Moscow Region 141980, Russian Federation
E-mail: melezhik@theor.jinr.ru
Mathematical modelling of resonant processes in confined geometry of optical and electromagnetic traps is an...
Prof.
Hassan Safouhi
(Campus Saint-Jean, University of Alberta 8406, 91 Street, Edmonton, Alberta T6C 4G9, Canada)
05/07/2017, 08:30
Integration by parts is one of the most popular techniques in the analysis of integrals and it has frequently been used to create divergent series or asymptotic expansions of integral representations. The product of the technique is usually a divergent series formed from evaluating boundary terms; however, sometimes the remaining integral is also evaluated. Striking examples are the Euler...
Prof.
Gheorghe Adam
(LIT-JINR and IFIN-HH, Bucharest, Romania)
05/07/2017, 09:00
The present report discusses a Bayesian automatic adaptive quadrature (BAAQ) solution for numerical integration which is simultaneously robust, reliable, and efficient, hence able to yield guaranteed output in numerical experiments involving sudden unexpected modifications of the behavior of the integrand function.
An essential ingredient of the solution is the multiscale approach [1]. Within...
Dr
Juha Honkonen
(Finnish National Defence University)
05/07/2017, 09:30
Models describing evolution of physical, chemical, biological, social and financial processes are often formulated as differential equations with the understanding that they are large-scale equations for averages of quantities describing intrinsically random processes. Explicit account of randomness may lead to significant changes in the asymptotic behaviour (anomalous scaling) in such models...
Dr
Alexei Klimentov
(Brookhaven National Lab)
05/07/2017, 10:00
Prof.
Aurelian Isar
(National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania)
06/07/2017, 08:00
In the framework of the theory of open systems based on completely positive quantum dynamical semigroups, we make a comparison of the behaviour of continuous variable quantum correlations (quantum entanglement, entropic quantum discord, geometric quantum discord, quantum steering) for a system consisting of: 1) two non-coupled; 2) two coupled bosonic modes embedded in a common environment of...
Prof.
Edward Fel'dman
(Institute of Problems of Chemical Physics of RAS)
06/07/2017, 08:30
Quantum correlations are different from all other correlations in many-particle systems. They depend on measurements. Quantum correlations are responsible for the advantages of quantum devices over their classical counterparts and ensure efficient work of all quantum devices, including quantum computers. Entanglement is a measure of quantum correlations for pure states. According to the...
Prof.
Vasily Shapeev
(Novosibirsk National Research University, Novosibirsk, Russia, Khristianovich Institute of Theoretical and Applied Mechanics, Russian Academy of Sciences, Novosibirsk, Russia)
06/07/2017, 09:00
In the numerical method of collocations and the least residuals (CLR),
the boundary differential problem using the collocation method is
projected into a finite-dimensional linear functional space. To find the
solution of the obtained approximate problem, an overdetermined system
of linear algebraic equations (SLAE) is written out and it is required
that on its solution the minimum of the...
Dr
Vladimir Kornyak
(LIT JINR)
06/07/2017, 09:30
The trajectory of a quantum system is a sequence of unitary evolutions of vectors in a Hilbert space, interspersed with observations --- projections of the vectors in some subspaces, that are specified by measuring devices. The result of quantum observation is random and its statistics is described by a probability measure defined on subspaces of the Hilbert space. Gleason's theorem gives a...
Prof.
Vladimir Gerdt
(Joint Institute for Nuclear Research)
06/07/2017, 10:30
We apply modern computer algebra methods and software for the Lie symmetry analysis to the governing Cosserat system of twelve nonlinear partial differential equations (PDEs) describing dynamics of nearly one-dimensional flexible structures (rods, fibers, cables, etc.) and construct the general analytical solution to the kinematic part (six equations) of the system. The obtained solution...
Dr
Victor Edneral
(Lomonosov Moscow State University)
06/07/2017, 11:00
The report describes power transformations of degenerate autonomic polynomial systems of ordinary differential equations which reduce such systems to a set of non-degenerate systems. The original problem is separated in a number of partial nilpotent tasks.
There is an example of building exact first integrals of motion of a degenerate planar system in a closed form as functions of system...
Prof.
Galina Riznichenko
(Lomonosov Moscow State University, MSU)
07/07/2017, 08:00
Processes in photosynthetic membrane proceed at wide time scales from 10-12s-1 (charge separation in photosynthetic reaction centers of Photosystems I and II) till dozen of milliseconds (interactions with Calvin-Benson cycle of CO2 fixation).
The paper presents the results of the work on kinetic and computer modeling performed at the Dept. of Biophysics, Biological faculty MSU. Kinetic...
Prof.
Nikolay Kudryashov
(National Research Nuclear University MEPhI)
07/07/2017, 08:30
We consider the following dynamical system:
\begin{equation}\begin{gathered}
\label{I_1}
m\,\frac{d^2y_{i}}{d t}=F_{i+1,i}-F_{i,i-1}-f_0\,\sin{\left(\frac{2\,\pi\,y_i}{a}\right)}, \qquad
(i=1,\ldots,N),
\end{gathered}\end{equation}
where $y_i$ measures the displacement of the i-th mass from equilibrium in time $t$, the force $F_{i+1,i}$ describes the nonlinear interaction between atpms...
Prof.
Gabriel Semanišin
(Faculty of Science, P.J. Šafárik University Košice, Slovakia)
07/07/2017, 09:00
We present new results on the Load Balancing Problem that concerns and assigment of given jobs to a set of machines each of which can process a subset of jobs. Each job requires one unit of processing time and must be assigned to some machine that can process it. The jobs have to be assigned in such a manner that minimises the total completion time. We exploit graph theory models and the...
Prof.
Ivan (for the CBM collaboration) Kisel
(Goethe University Frankfurt, Frankfurt am Main, Hesse, Germany, Frankfurt Institute for Advanced Studies, Frankfurt am Main, Hesse, Germany GSI Helmholtz Centre for Heavy Ion Research, Darmstadt, Germany), Ms
Valentina Akishina
(GSI)
07/07/2017, 10:00
One of the main purposes of the physics program of the future heavy-ion experiment CBM (FAIR, Germany) is to understand the properties of strongly interacting matter at very high baryonic densities and to study the possibility of a phase transition to a deconfined and chirally restored phase of quark matter. The experiment will operate at high interaction rates up to 10 MHz, that requires a...
Prof.
Sergey Polyakov
(Keldysh Institute of Applied Mathematics)
07/07/2017, 10:30
The multiscale multilevel approach for solution of nanotechnology problems by supercomputer systems is presented. The approach is based on combining the continuum mechanics models and the Newton's dynamics for individual particles. This combination includes three scale levels such as macroscopic, mesoscopic and microscopic levels. For gas - metal technical systems we use the following models....
