?
ИСТОРИЯ И ПЕРСПЕКТИВЫ АТОМИСТИЧЕСКОГО МОДЕЛИРОВАНИЯ ПОЛИСАХАРИДОВ
Высокомолекулярные соединения. Серия С. 2023. Т. 65. № 1. С. 91–109.
Дещеня В. И., Kondratyuk N.
The history and prospects for the development of interatomic interaction potentials for the simulation of molecular systems and, in particular, polysaccharides are presented. Popular families of potentials, such as CHARMM, GROMOS, AMBER, and OPLS, are considered. Problems that limit the applicability of these models to sugar monomers have been recognized, which are poor reproducibility of experimentally determined properties and hyperaggregation at low concentrations. The development vectors of this area are also considered: the modification of nonbonded interactions and the use of polarizable potentials. Applications of the atomistic simulation of polysaccharides in actual fundamental and industrial problems are demonstrated using the example of cellulose. Important computational works are presented that have made a significant contribution to the understanding of the structure and processes occurring in a cellulose crystal. In addition, an overview is given of the currently available time scales and characteristic sizes of systems for simulation in the GROMACS, LAMMPS, OpenMM, and AMBER packages for the sucrose solution model.
Chepovskiy A., Мастерская Печати Идей, 2026.
The textbook presents methods and algoгithms for automatic analysis
of соrроrа of texts in natural languages. It is intended fоr sfudenБ of
methods of processing texts in паtчrаl languages and creating training
arays of texts.
Fоr students, graduate students and researchers studying methods
of computational linguistics and word processing. ...
Added: August 1, 2026
Касимов Р. Х., Аржанов А. И., Седых К. О. et al., Оптический журнал 2026 Т. 93 № 1 С. 80–86
Предмет исследования. Использование метода капельного нанесения для изготовления источника одиночных фотонов. Цель работы. Разработка технологического процесса изготовления источника одиночных фотонов на коллоидных квантовых точках для использования их в фотон- ных интегральных схемах. Метод. На первом этапе в программе ANSYS Lumerical рассчитыва- ются период и фактор заполнения фокусирующих элементов связи на длинах волн 545 и 600 ...
Added: July 31, 2026
Nevzorov A., Golikov A., Gneushev D. et al., JETP Letters 2026 Vol. 147–151 No. 3 P. 147–151
This paper demonstrates a special stochastic operation mode of a photonic element with a thin GeTe film deposited at a silicon nitride waveguide. As opposed to traditional deterministic switching between stable states, it has been shown that identical pump laser pulses cause a stochastic change in the transmission coefficient. The discovered effect opens up new ...
Added: July 31, 2026
Dual-mode infrared detection via photovoltaic and barrier pyroelectric effects in PbTe p–n junctions
Jarashneli A., Кобцев Д. М., Upcher A. et al., Journal of Applied Physics 2026 Vol. 140 No. 2 Article 024501
In the work, two effects appeared in PbTe p–n junctions under mid-wavelength infrared (2 − 5 μm) and long-wavelength infrared irradiation (≈10.6 μm). The first effect was created by the optical absorption of lR-photons in PbTe and caused by its photovoltage effect. The second novel effect is related to the heating process and the formation ...
Added: July 31, 2026
Nikolaev G. A., Orlov O. V., Andreeva S. et al., Physical Review Applied 2026 Vol. 26 Article 014099
We report the electrical detection of the spin resonance with temporal resolution in a two-dimensional electron system. Spin resonance was excited by pulses of subterahertz radiation characterized by relatively short rise and fall times on the order of 10 ns and was observed as a resonant peak in the high-frequency conductivity of the two-dimensional channel. The ...
Added: July 31, 2026
Andreeva S., Orlov O. V., Shchepetilnikov A. et al., Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 Article 065420
We investigate the temperature dependence of the pseudospin phase transition at filling factor 𝜈=2 in the quantum Hall regime. Experiments were performed on a high-quality, wide AlAs quantum well, where the pseudospin degree of freedom arises naturally from the near degeneracy and equivalence of the two conduction-band valleys. The anisotropic 𝑔-factor inherent to AlAs enabled independent measurement of ...
Added: July 31, 2026
Ponomarenko A., / Series Computer Science "arxiv.org". 2025.
This paper addresses the challenge of merging hierarchical navigable small world (HNSW) graphs, a critical operation for distributed systems, incremental indexing, and database compaction. We propose three algorithms for this task: Naive Graph Merge (NGM), Intra Graph Traversal Merge (IGTM), and Cross Graph Traversal Merge (CGTM). These algorithms differ in their approach to vertex selection ...
Added: July 30, 2026
Уилкокс П., Romanov A., М.: ДМК Пресс, 2025.
Книга, которую вы держите в руках, продолжает серию «Книжная полка истового
инженера», которая издается при поддержке компании YADRO.
Данная книга представляет собой учебник по теоретическим основам продвинутой
функциональной верификации и содержит лучшие практики, используемые в настоящее
время. В ней подробно описана унифицированная методология верификации
(UVM) и раскрыты такие темы, как функциональный виртуальный прототип, функциональное
покрытие, утверждения, формальная верификация, тестбенчи, косимуляция,
эмуляция, аппаратное ...
Added: July 30, 2026
Mikhaylets E. V., Razorenova A. М., Chernyshev V. L. et al., Scientific Reports 2026 Vol. 16 Article 23560
Meditation offers a naturalistic paradigm for studying introspection, yet the neural dynamics of advanced tantric practices remain largely unexplored. Buddhist Highest Yoga Tantra (BHYT) comprises a sequence of eight dissolution stages culminating in the “clear light” state. We recorded EEG during eyes-closed BHYT meditation performed in monasteries and hermitages (51 sessions from 36 male practitioners; ...
Added: July 29, 2026
Metlov K., Andrei B. Bogatyrëv, Annalen der Physik 2026 Vol. 538 No. 6 Article e70234
Thanks to the recent progress in bulk full three-dimensional nanoscale magnetization distribution imaging, there is a growing
interest to three-dimensional (3D) magnetization textures, promising new high information density spintronic applications.
Compared to 1D domain walls or 2D magnetic vortices/skyrmions, they are a much harder challenge to represent, analyze and
reason about. Here we build analytical representation for such ...
Added: July 28, 2026
Думкин Н. А., Alexandrov D., Прозорский М. А., Труды Института системного программирования РАН 2026 Т. 38 № 1 С. 255–274
A theoretically sound approach to adaptive client-side video fragment restoration is proposed using
machine learning and scene analysis methods. The method includes a formal problem statement, a finite-state
machine model for decision making, a restoration cost function, and a new stage in video preparation: scene
dynamics assessment followed by recording a feature in an HLS playlist. This feature ...
Added: July 27, 2026
Cham: Springer, 2026.
This open access set, LNAI 16688-16689, constitutes the proceedings of the 13th International Joint Conference, IJCAR 2026, held in Lisbon, Portugal, during July 26–29, 2026.
The 41 full research papers and 8 short papers included in these two volumes were carefully reviewed and selected from 112 submissions. The papers cover the following topical sections:
Part I: Theorem ...
Added: July 26, 2026
Dmitry Vasilyev, Gorev V., Ikhsanov R. et al., Journal of Materials Science 2026 No. 61 P. 25452–25470
The orthorhombic phase of 𝛼-Mo2 C is a key component in electrocatalytic applications, as Mo2C-based catalysts can exhibit catalytic performance comparable to or exceeding that of noble metals. Despite its technological relevance, theoretical understanding of the anisotropy in the thermal expansion and related thermoelastic properties of 𝛼-Mo2 C remains limited. In this work, first-principles calculations ...
Added: July 23, 2026
Edward R. Rzaev, Aleksandr Y. Romanov, Andrey M. Sukhov, IEEE Access 2026 Vol. 14 P. 2169–3536
This work presents a hierarchy of strictly local fault-tolerant routing algorithms for 3D mesh networks-on-chip, culminating in an algorithm that combines a live-neighbor selection rule with a bounded single-hop rollback mechanism. The proposed algorithms operate exclusively on immediate neighbor information, maintain O(1) per hop complexity, and require no global topology knowledge, additional virtual channels, or ...
Added: July 23, 2026
Borovitskaya I. V., Pimenov V. N., Korshunov S. N. et al., Physics of Atomic Nuclei 2026 Vol. 89 No. 1 P. S48–S55
The effect of high-power pulsed laser radiation (LR) generated in the GOS 1001 setup in the
Q-modulated mode (with a flux power density q equal to 1 × 1014 W/m2, pulse duration t = 50 ns, and the
number of pulses N from 1 to 8 in vacuum) on the structure and microhardness of the surface of ...
Added: July 22, 2026
Pislyakov V., Вестник Томского государственного университета. Филология 2026 № 101 С. 175–192
This article examines the use of proverbs in academic texts—specifically, articles published in Russian research journals. For the experiment, ten proverbs were selected as the intersection of two fundamentally different paremiological surveys aimed at compiling lists of popular or common Russian proverbs. One of these surveys was conducted by the classic of paremiology, G.L. Permyakov, ...
Added: July 22, 2026
Association for Computing Machinery (ACM), 2026.
Wominjeka, and welcome to the 49th International ACM SIGIR Conference on Research and Development in Information Retrieval (SIGIR 2026), held in Melbourne | Naarm, Australia, from 20–24 July 2026. SIGIR 2026 takes place on the unceded lands of the Woi Wurrung and Boon Wurrung language groups of the eastern Kulin nation, and we pay our ...
Added: July 22, 2026
Korogod D., Shapeev A., Ivan S. Novikov, Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 No. 2 Article 024104
We present two models with explicit long-range electrostatics in the form of Coulomb interactions. Both models include point charges depending on their local atomic environments, and the second model also conserves a total charge of an atomic system. We combine the proposed long-range models with the local moment tensor potential (MTP) and demonstrate that they ...
Added: July 22, 2026
Sozykin K., Rybin N., Chertkov A. et al., Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 113 No. 22 Article 224111
The global optimization of atomic clusters represents a fundamental challenge in computational chemistry and materials science due to the exponential growth of local minima with system size (i.e., the curse of dimensionality). We introduce a framework that overcomes this limitation by exploiting the low-rank structure of potential energy surfaces through tensor train (TT) decomposition. Our ...
Added: July 22, 2026
Loubenets E. R., / Series arxiv.org "quant-ph". 2026. No. 2607.18050.
In many quantum applications it is important to know whether or not a Bell nonlocal two-qudit state exhibits its nonlocality under correlation scenarios with some given numbers S1,S2≥1 of generalized quantum measurements at two sites. In the present article, we find analytically a new general locality condition sufficient for a nonseparable Werner state with a ...
Added: July 21, 2026
Parfenyev V., Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2026 Vol. 114 No. 1 Article 015104
Zermelo's navigation problem seeks the trajectory of minimal travel time between two points in a fluid flow. We address this problem for an agent -- such as a floating drone or active particle -- that is advected by a two-dimensional flow, self-propels at a fixed speed smaller than or comparable to the characteristic flow velocity, ...
Added: July 17, 2026
Gurina D., Fashchevsky K. A., Budkov Y. et al., Journal of Molecular Liquids 2026 Vol. 448 Article 129401
Classical and ab initio molecular dynamics (MD) simulations were employed to investigate the solvation and sorption behavior of mefenamic acid (MFA) molecules in supercritical CO2 (scCO2) and scCO2/cellobiose systems. Using classical MD with alchemical transformation, the Gibbs free energy of solvation (ΔGsolv) for four stable MFA conformers in scCO2 was calculated along the isochores ρ = 1.1ρc and ρ = 1.69ρc over a temperature range ...
Added: February 25, 2026
Leon L. Ogorodnikov, Sergey S. Vergeles, Physical Review Fluids 2025 Vol. 10 No. 12 Article 124702
We study the spatial dependence of pair correlation functions of velocity field com ponents in a rotating turbulent fluid on a background of a coherent geostrophic vortex. The statistics of the turbulent pulsations are determined by their dynamics, which is the dynamics of inertial waves affected by the differential rotation in the vortex and a ...
Added: February 24, 2026
Ekaterina G. Odintsova, Darya L. Gurina, Yury A. Budkov, Colloids and Surfaces A: Physicochemical and Engineering Aspects 2026 Vol. 736 Article 139693
The behavior of water under nanoscale confinement is crucial for numerous technologies; yet predicting its
properties remains challenging due to the complex interplay of pore geometry and surface chemistry. While the
influence of general hydrophilicity is recognized, the specific role of the flexibility of surface functional groups - a
key molecular-scale feature - has remained underexplored. To address ...
Added: January 24, 2026