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Self-organization of molecules on a solid surface is one of the promising directions for materials generation with unique magnetic, electrical, and optical properties. They can be widely used in fields such as electronics, optoelectronics, catalysis, and biology. However, the structure and physicochemical properties of adsorbed molecules are influenced by many parameters that must be taken into account when studying the self-organization of molecules. Therefore, the experimental study of such materials is expensive, and quite often it is difficult for various reasons. In such situations, it is advisable to use the mathematical modeling. One of the parameters in the considered adsorption systems is the multiparticle interaction, which is often not taken into account in simulations due to the complexity of the calculations. In this paper, we evaluated the influence of multiparticle interactions on the total energy of the system using the transfer-matrix method and the Materials Studio software package. The model of monocentric adsorption with nearest interactions on a triangular lattice was taken as the basis. Phase diagrams in the ground state were constructed and a number of thermodynamic characteristics (coverage $\theta$, entropy $S$, susceptibility $\xi$) were calculated at nonzero temperatures. The formation of all four ordered structures (lattice gas with $\theta=0$, $(\sqrt{3} \times \sqrt{3}) R30^{\circ}$ with $\theta = \frac{1}{3}$, $(\sqrt{3} \times \sqrt{3})R^{*}30^{\circ}$ with $\theta = \frac{2}{3}$ and densest phase with $\theta = 1$) in a system with only pairwise interactions, and the absence of the phase  $(\sqrt{3}\times \sqrt{3}) R30^\circ$ when only three-body interactions are taken into account, were found. Using the example of an atomistic model of the trimesic acid adsorption layer by quantum mechanical methods we determined that in such a system the contribution of multiparticle interactions is 11.44% of the pair interactions energy. There are only quantitative differences at such values. The transition region from the  $(\sqrt{3} \times \sqrt{3}) R^{*}30^\circ$ to the densest phase shifts to the right by 38.25% at $\frac{\varepsilon}{RT} = 4$ and to the left by 23.46% at $\frac{\varepsilon}{RT} = −2$.

We consider an approach based on linear algebra methods to analyze the rate of electron transport through the cytochrome $b_6 f$ complex. In the proposed approach, the dependence of the quasi-stationary electron flux through the complex on the degree of reduction of pools of mobile electron carriers is considered a response function characterizing this process. We have developed software in the Python programming language that allows us to construct the master equation for the complex according to the scheme of elementary reactions and calculate quasi-stationary electron transport rates through the complex and the dynamics of their changes during the transition process. The calculations are performed in multithreaded mode, which makes it possible to efficiently use the resources of modern computing systems and to obtain data on the functioning of the complex in a wide range of parameters in a relatively short time. The proposed approach can be easily adapted for the analysis of electron transport in other components of the photosynthetic and respiratory electron-transport chain, as well as other processes in multienzyme complexes containing several reaction centers. Cryo-electron microscopy and redox titration data were used to parameterize the model of cytochrome $b_6 f$ complex. We obtained dependences of the quasi-stationary rate of plastocyanin reduction and plastoquinone oxidation on the degree of reduction of pools of mobile electron carriers and analyzed the dynamics of rate changes in response to changes in the redox state of the plastoquinone pool. The modeling results are in good agreement with the available experimental data.

The problem of harvest optimization remains a central challenge in mathematical biology. The concept of Maximum Sustainable Yield (MSY), widely used in optimal exploitation theory, proposes maintaining target populations at levels ensuring maximum reproduction, theoretically balancing economic benefits with resource conservation. While MSYbased management promotes population stability and system resilience, it faces significant limitations due to complex intrapopulation structures and nonlinear dynamics in exploited species. Of particular concern are the evolutionary consequences of harvesting, as artificial selection may drive changes divergent from natural selection pressures. Empirical evidence confirms that selective harvesting alters behavioral traits, reduces offspring quality, and modifies population gene pools. In contrast, the genetic impacts of non-selective harvesting remain poorly understood and require further investigation.

This study examines how non-selective harvesting with constant removal rates affects evolution in genetically heterogeneous populations. We model genetic diversity controlled by a single diallelic locus, where different genotypes dominate at high/low densities: r-strategists (high fecundity) versus K-strategists (resource-limited resilience). The classical ecological and genetic model with discrete time is considered. The model assumes that the fitness of each genotype linearly depends on the population size. By including the harvesting withdrawal coefficient, the model allows for linking the problem of optimizing harvest with the that of predicting genotype selection.

Analytical results demonstrate that under MSY harvesting the equilibrium genetic composition remains unchanged while population size halves. The type of genetic equilibrium may shift, as optimal harvest rates differ between equilibria. Natural K-strategist dominance may reverse toward r-strategists, whose high reproduction compensates for harvest losses. Critical harvesting thresholds triggering strategy shifts were identified.

These findings explain why exploited populations show slow recovery after harvesting cessation: exploitation reinforces adaptations beneficial under removal pressure but maladaptive in natural conditions. For instance, captive arctic foxes select for high-productivity genotypes, whereas wild populations favor lower-fecundity/higher-survival phenotypes. This underscores the necessity of incorporating genetic dynamics into sustainable harvesting management strategies, as MSY policies may inadvertently alter evolutionary trajectories through density-dependent selection processes. Recovery periods must account for genetic adaptation timescales in management frameworks.

The collective behavior of crowd leaving a room is modeled. The model is based on molecular dynamics approach with a mixture of socio-psychological and physical forces. The new algorithm for complicatedly branched space is proposed. It suggests that each individual develops its own plan of escape, which is stochastically transformed during the evolution. The algorithm includes also the separation of original space into rooms with possible exits selected by individuals according to their probability distribution. The model is calibrated on the base of empirical data provided by fire case in the nightclub “Lame Horse” (Perm, 2009). The algorithm is realized as an end-user Java software. It is assumed that this tool could help to test the buildings for their safety for humans.

A crucial component of distributed computing systems is network infrastructure. While networking forms the backbone of such systems, it is often the invisible partner to storage and computing resources. We propose to integrate Network Elements directly into distributed systems through the workload management layer. There are many reasons for this approach. As the complexity and demand for distributed systems grow, it is important to use existing infrastructure efficiently. For example, one could use network performance measurements in the decision making mechanisms of workload management systems. New advanced technologies allow one to programmatically define network configuration, for example SDN — Software Defined Networks. We will describe how these methods are being used within the PanDA workload management system of the ATLAS collaboration.

The article deals with the modeling of the number of employed population by branches of the economy at the national and regional levels. The lack of targeted distribution of workers in a market economy requires the study of systemic processes in the labor market that lead to different dynamics of the number of employed in the sectors of the economy. In this case, personal strategies for choosing labor activity by economic agents become important. The presence of different strategies leads to the emergence of strata in the labor market with a dynamically changing number of employees, unevenly distributed among the sectors of the economy. As a result, non-linear fluctuations in the number of employed population can be observed, the toolkit of agentbased modeling is relevant for the study of the fluctuations. In the article, we examined in-phase and anti-phase fluctuations in the number of employees by economic activity on the example of the Jewish Autonomous Region in Russia. The fluctuations found in the time series of statistical data for 2008–2016. We show that such fluctuations appear by age groups of workers. In view of this, we put forward a hypothesis that the agent in the labor market chooses a place of work by a strategy, related with his age group. It directly affects the distribution of the number of employed for different cohorts and the total number of employed in the sectors of the economy. The agent determines the strategy taking into account the socio-economic characteristics of the branches of the economy (different levels of wages, working conditions, prestige of the profession). We construct a basic agentoriented model of a three-branch economy to test the hypothesis. The model takes into account various strategies of economic agents, including the choice of the highest wages, the highest prestige of the profession and the best working conditions by the agent. As a result of numerical experiments, we show that the availability of various industry selection strategies and the age preferences of employers within the industry lead to periodic and complex dynamics of the number of different-aged employees. Age preferences may be a consequence, for example, the requirements of employer for the existence of work experience and education. Also, significant changes in the age structure of the employed population may result from migration.

In this work, we analyze the system of contracts made by Russian defense enterprises in the process of state defense order execution. We conclude that methods of statistical mechanics can be applied to the description of the given system. Following the original grand-canonical ensemble approach, we can create the statistical ensemble under investigation as a set of instant snapshots of indistinguishable contracts having individual values. We show that due to government regulations of contract prices the contract system can be described in terms of nonextensive Tsallis statistics. We have found that probability distributions of contract prices correspond to deformed Bose – Einstein distributions obtained using nonextensive Tsallis entropy. This conclusion is true both in the case of the whole set of contracts and in the case of the contracts made by an individual defense company as a seller.

In order to analyze how deformed Bose – Einstein distributions fit the empirical contract price distributions we compare the corresponding cumulative distribution functions. We conclude that annual distributions of individual sales which correspond to each company’s contract (order) can be used as relevant data for contract price distributions analysis. The empirical cumulative distribution functions for the individual sales ranking of Concern CSRI Elektropribor, one of the leading Russian defense companies, are analyzed for the period 2007–2021. The theoretical cumulative distribution functions, obtained using deformed Bose – Einstein distributions in the case of «rare contract gas» limit, fit well to the empirical cumulative distribution functions. The fitted values for the entropic index show that the degree of nonextensivity of the system under investigations is rather high. It is shown that the characteristic prices of distributions can be estimated by weighing the values of annual individual sales with the escort probabilities. Given that the fitted values of chemical potential are equal to zero, we suggest that «gas of contracts» can be compared to photon gas in which the number of particles is not conserved.

Now days the main research activity in the field of nanotechnology is aimed at the creation, study and application of new materials and new structures. Recently, much attention has been attracted by the possibility of controlling magnetic properties using a superconducting current, as well as the influence of magnetic dynamics on the current–voltage characteristics of hybrid superconductor/ferromagnet (S/F) nanostructures. In particular, such structures include the S/F/S Josephson junction or molecular nanomagnets coupled to the Josephson junctions. Theoretical studies of the dynamics of such structures need processes of a large number of coupled nonlinear equations. Numerical modeling of hybrid superconductor/magnet nanostructures implies the calculation of both magnetic dynamics and the dynamics of the superconducting phase, which strongly increases their complexity and scale, so it is advisable to use heterogeneous computing systems.

In the course of studying the physical properties of these objects, it becomes necessary to numerically solve complex systems of nonlinear differential equations, which requires significant time and computational resources.

The currently existing micromagnetic algorithms and frameworks are based on the finite difference or finite element method and are extremely useful for modeling the dynamics of magnetization on a wide time scale. However, the functionality of existing packages does not allow to fully implement the desired computation scheme.

The aim of the research is to develop a unified environment for modeling hybrid superconductor/magnet nanostructures, providing access to solvers and developed algorithms, and based on a heterogeneous computing paradigm that allows research of superconducting elements in nanoscale structures with magnets and hybrid quantum materials. In this paper, we investigate resonant phenomena in the nanomagnet system associated with the Josephson junction. Such a system has rich resonant physics. To study the possibility of magnetic reversal depending on the model parameters, it is necessary to solve numerically the Cauchy problem for a system of nonlinear equations. For numerical simulation of hybrid superconductor/magnet nanostructures, a computing environment based on the heterogeneous HybriLIT computing platform is implemented. During the calculations, all the calculation times obtained were averaged over three launches. The results obtained here are of great practical importance and provide the necessary information for evaluating the physical parameters in superconductor/magnet hybrid nanostructures.

This work deals with numerical modeling of motion of the multibody systems consisting of rigid bodies with arbitrary masses and inertial properties. We consider both planar and spatial systems which may contain kinematic loops.

The numerical modeling is fully automatic and its computational algorithm contains three principal steps. On step one a graph of the considered mechanical system is formed from the userinput data. This graph represents the hierarchical structure of the mechanical system. On step two the differential-algebraic equations of motion of the system are derived using the so-called Joint Coordinate Method. This method allows to minimize the redundancy and lower the number of the equations of motion and thus optimize the calculations. On step three the equations of motion are integrated numerically and the resulting laws of motion are presented via user interface or files.

The aforementioned algorithm is implemented in the software complex that contains a computer algebra system, a graph library, a mechanical solver, a library of numerical methods and a user interface.

A Large Language Model (LLM) is an advanced artificial intelligence algorithm that utilizes deep learning methodologies and extensive datasets to process, understand, and generate humanlike text. These models are capable of performing various tasks, such as summarization, content creation, translation, and predictive text generation, making them highly versatile in applications involving natural language understanding. Generative AI, often associated with LLMs, specifically focuses on creating new content, particularly text, by leveraging the capabilities of these models. Developers can harness LLMs to automate complex processes, such as extracting relevant information from system requirement documents and translating them into a structured database schema. This capability has the potential to streamline the database design phase, saving significant time and effort while ensuring that the resulting schema aligns closely with the given requirements. By integrating LLM technology with Natural Language Processing (NLP) techniques, the efficiency and accuracy of generating database schemas based on textual requirement specifications can be significantly enhanced. The proposed tool will utilize these capabilities to read system requirement specifications, which may be provided as text descriptions or as Entity-Relationship Diagrams (ERDs). It will then analyze the input and automatically generate a relational database schema in the form of SQL commands. This innovation eliminates much of the manual effort involved in database design, reduces human errors, and accelerates development timelines. The aim of this work is to provide a tool can be invaluable for software developers, database architects, and organizations aiming to optimize their workflow and align technical deliverables with business requirements seamlessly.