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Molecular dynamics simulations of the relaxation processes in the condensed matter on GPUs
Computer Physics Communications. 2011. Vol. 182. P. 1974–1978.
Morozov I.V., Kazennov A. M., Bystryi R.G., Norman G. E., Pisarev V. V., Stegailov V. V.
We report on simulation technique and benchmarks for molecular dynamics simulations of the relaxation processes in solids and liquids using the graphics processing units (GPUs). The implementation of a manybody potential such as the embedded atom method (EAM) on GPU is discussed. The benchmarks obtained by LAMMPS and HOOMD packages for simple Lennard-Jones liquids and metals using EAM potentials are presented for both Intel CPUs and Nvidia GPUs. As an example the crystallization rate of the supercooled Al melt is computed.
Priority areas:
IT and mathematics
Language:
English
Taletskii D., / Series arXiv "math". 2026.
A vertex subset of a graph is called a \textit{distance-$k$ independent set} if the distance between any two of its distinct vertices is at least $k + 1$. For all $n,k \geq 1$, we determine the minimum possible number of inclusion-wise maximal distance-$k$ independent sets among all $n$-vertex trees. It equals~$n$ if $n \leq k ...
Added: May 1, 2026
Dayoub A., Suleiman E., IEEE, 2026.
2026 8th International Youth Conference on Radio Electronics, Electrical and Power Engineering (REEPE)
1-3 April 2026 ...
Added: April 30, 2026
М.: ООО «Геомодель Развитие», 2024.
Интелшектуальный анализ данных в нефтегазовой отрасли, Калининград, Россия, 2024, ООО «Геомодель Развитие» ...
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Karpova Irina Petrovna, Pattern Recognition and Image Analysis 2025 Vol. 35 No. 4 P. 1138–1144
A solution to the problem of redistributing agents between groups based on simulating a form of social parasitism in ants known as slave-making is considered. To provide a comprehensive solution, the problem is integrated with a method of orientation based on visual landmarks and a compass, including route memorization and return. The models and mechanisms ...
Added: April 29, 2026
Derkacheva A., Sakirkina M., Kraev G. et al., /. 2026.
Comprehensive data on natural hazards and their consequences are crucial for effective for risk assessment, adaptation planning, and emergency response. However, many countries face challenges with fragmented, inconsistent, and inaccessible data, particularly regarding local-scale events. To address this data gap in Russia, we developed an end-to-end processing pipeline that scrapes news from various online sources, ...
Added: April 28, 2026
Ponomarev A., Aleksandrov N., Plasma Physics Reports 2026 Vol. 52 No. 3 P. 367–378
An approximate method for calculating drift velocity and other kinetic coefficients of heavy ions
in a light gas is generalized to gaseous mixtures. Obtained equations are used to calculate the mobilities of
and ions, as well as rate constants for inelastic ion–molecule processes with these ions in helium with
small additions of O2 under an electric field. Calculated ...
Added: April 27, 2026
Domrin V. I., Malova H. V., V. Yu. Popov et al., Cosmic Research 2026 Vol. 64 No. 2 P. 238–252
During magnetospheric perturbations a relatively thin current sheet with thickness about several
proton gyroradii forms in the Earth’s magnetotail. In a framework of the kinetic model describing current
sheet thinning in the magnetotail, the processes of its formation are investigated depending on the normal
magnetic field magnitude which affects both the current sheet structure and particle dynamics within ...
Added: April 27, 2026
Tsareva O. O., Malova H. V., V. Yu. Popov et al., Plasma Physics Reports 2026 Vol. 52 No. 2 P. 179–185
The influence of asymmetry of plasma sources on the structure and spatial localization of a superthin
current sheet (STCS) supported by demagnetized electrons is studied using a self-consistent model. The
simulation takes into account the presence of a single plasma source in the northern hemisphere, which
makes the plasma flow asymmetric. It is demonstrated that the asymmetry of ...
Added: April 27, 2026
П.А.Беспалов, О.Н. Савина, Геомагнетизм и аэрономия 2025 Т. 65 № 5 С. 620–628
Several basic models of frequency dynamics in quasi-periodic VLF emissions with spectral form repetition
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of electron radiation belts thet are well described within the framework of the plasma magnetospheric maser
theory based an the averaged self-consistent system of quasi-linear ...
Added: April 25, 2026
Bondarenko G.G., Fisher M. R., Kristya V. I., Bulletin of the Russian Academy of Sciences: Physics 2026 Vol. 90 No. 4 P. 572–576
A model of the cathode layer of a glow gas discharge with a thin dielectric film on a fraction of the
cathode’s working surface is formulated. It is shown that a glow discharge most rapidly transits to an arc discharge,
accompanied by a significant increase in discharge current density and a decrease in cathode voltage
drop, if the ...
Added: April 25, 2026
NY: Association for Computing Machinery (ACM), 2026.
It is our great pleasure to welcome you to the 35th edition of the Web Conference to be held on June 29 – July 3, 2026, in Dubai, United Arab Emirates.
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Added: April 23, 2026
Qin X., Deng Y., Shchur L. et al., / Series arXiv "math". 2026. No. 2603.02962.
We perform a Monte Carlo analysis of the Ising model on many three-dimensional lattices. By means of finite-size scaling we obtain the critical points and determine the scaling dimensions. As expected, the critical exponents agree with the three-dimensional Ising universality class for all models. The irrelevant field, as revealed by the correction-to-scaling amplitudes, appears to ...
Added: April 20, 2026
Pilé I., Deng Y., Shchur L., / Series arXiv "math". 2026. No. 2604.10254.
We investigate the spatial overlap of successive spin configurations in Markov chain Monte Carlo simulations using the local Metropolis algorithm and the Svendsen-Wang and Wolff cluster algorithms. We examine the dynamics of these algorithms for two models in different universality classes: the Ising model and the Potts model with three components. The overlap of two ...
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Gabdullin N., Androsov I., / Series Computer Science "arxiv.org". 2026.
Label prediction in neural networks (NNs) has O(n) complexity proportional to the number of classes. This holds true for classification using fully connected layers and cosine similarity with some set of class prototypes. In this paper we show that if NN latent space (LS) geometry is known and possesses specific properties, label prediction complexity can ...
Added: April 2, 2026
Sorokin K., Beketov M., Онучин А. et al., / arxiv.org. Серия cs.SI "Social and Information Networks ". 2025.
Community detection in complex networks is a fundamental problem, open to new approaches in various scientific settings. We introduce a novel community detection method, based on Ricci flow on graphs. Our technique iteratively updates edge weights (their metric lengths) according to their (combinatorial) Foster version of Ricci curvature computed from effective resistance distance between the ...
Added: January 15, 2026
Petrovanov I., Sergeev A., / Series Computer Science "arxiv.org". 2025. No. 2512.18332.
Transport coding reduces message delay in packet-switched networks by introducing controlled redundancy at the transport layer: original packets are encoded into coded packets, and the message is reconstructed after the first successful deliveries, effectively shifting latency from the maximum packet delay to the -th order statistic. We present a concise, reproducible discrete-event implementation of transport coding in OMNeT++, including ...
Added: December 24, 2025
Hessian-based lightweight neural network for brain vessel segmentation on a minimal training dataset
Меньшиков И. А., Бернадотт А. К., Elvimov N. S., / Series arXie "Statistical mechanics". 2025.
Accurate segmentation of blood vessels in brain magnetic resonance angiography (MRA) is essential for successful surgical procedures, such as aneurysm repair or bypass surgery. Currently, annotation is primarily performed through manual segmentation or classical methods, such as the Frangi filter, which often lack sufficient accuracy. Neural networks have emerged as powerful tools for medical image ...
Added: December 1, 2025
Babicheva R., Kumar A., Kiran R. et al., Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science 2025 Vol. 56 P. 5646–5663
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Added: November 27, 2025
Чернышов Д. П., Satanin A., Shchur L., / Series arXiv "math". 2025.
We investigate the boundary separating regular and chaotic dynamics in the generalized Chirikov map, an extension of the standard map with phase-shifted secondary kicks. Lyapunov maps were computed across the parameter space (K,K(α, τ)) and used to train a convolutional neural network (ResNet18) for binary classification of dynamical regimes. The model reproduces the known critical ...
Added: November 21, 2025
Rubchinskiy A., Chubarova D., / Series WP7 "Математические методы анализа решений в экономике, бизнесе и политике". 2025. No. WP7/2025/01.
The article examines one of the most famous examples of socio-economic systems, characterized by significant uncertainty – the S&P-500 stock market, where shares of 500 largest US companies are traded. No assumptions are made about the probabilistic characteristics of the stock market. A flexible algorithm for daily trading has been developed, based on both known fixed data ...
Added: November 9, 2025
Meshchaninov V., Strashnov, P., Shevtsov A. et al., / Cornell University. Серия CoRR, arXiv:2403.03726 "Computing Research Repository,". 2025.
Protein design requires a deep understanding of the inherent complexities of the protein universe. While many efforts lean towards conditional generation or focus on specific families of proteins, the foundational task of unconditional generation remains underexplored and undervalued. Here, we explore this pivotal domain, introducing DiMA, a model that leverages continuous diffusion on embeddings derived ...
Added: October 5, 2025
Shabalin A., Meshchaninov V., Vetrov D., / Series cs.CL, arXiv:2505.18853 "Computation and Language". 2025.
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Абрамов А. С., Chernyshev V. L., Mikhaylets E. et al., / Series Social Science Research Network "Social Science Research Network". 2025.
Computer vision is one of the most relevant modern research areas with broad practical applications. However, traditional solutions based on deep learning have signicant limitations and can be misleading. Topological data analysis, on the other hand, is a modern approach to solving similar problems using mathematically deterministic methods of algebraic topology that reduce the risk ...
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Kochetkov Y., / Series arXiv.org e-print archive "arXiv.math". 2025. No. 07600.
We demonstrate in an elementary way how to construct a frieze pattern of width m-3 from a partition of a convex m-gon
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