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2. Multi-Institutional Evaluation of Interrater Agreement of Biomarker-Drug Pair Rankings Based on the ESMO Scale for Clinical Actionability of molecular Targets (ESCAT) and Sources of Discordance

Author

Lebedeva, Alexandra, Belova, Ekaterina, Kavun, Alexandra, Taraskina, Anastasiia, Bartoletti, Michele, Bièche, Ivan, Curigliano, Giuseppe, Dupain, Célia, Rios-Hoyo, Alejandro, Kamal, Maud, Luchini, Claudio, Poyarkov, Stanislav, Le Tourneau, Christophe, Veselovsky, Egor, Mileyko, Vladislav, and Ivanov, Maxim

Published
2024
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3. Non-abelian tensor product and circular orderability of groups

Author

Ivanov, Maxim

Subjects
Mathematics - Group Theory, Mathematics - Geometric Topology
Abstract

For a group $ G $ we consider its tensor square $G \otimes G$ and exterior square $G \wedge G$. We prove that for a circularly orderable group $G$, under some assumptions on $H_1(G)$ and $H_2(G)$, its exterior square and tensor square are left-orderable. This yields an obstruction for a circularly orderable group $G$ to have torsion. We apply these results to study circular orderability of tabulated virtual knot groups.

Published
2023

5. The Place of Digitalization in Managing the Socio-economic Development of Regions and Countries

Author

Volodin, Aleksandr, Degtereva, Viktoriia, Ivanov, Maxim, Akimova, Yulia, Kacprzyk, Janusz, Series Editor, Gomide, Fernando, Advisory Editor, Kaynak, Okyay, Advisory Editor, Liu, Derong, Advisory Editor, Pedrycz, Witold, Advisory Editor, Polycarpou, Marios M., Advisory Editor, Rudas, Imre J., Advisory Editor, Wang, Jun, Advisory Editor, Devezas, Tessaleno Campos, editor, Berawi, Mohammed Ali, editor, Barykin, Sergey Evgenievich, editor, and Kudryavtseva, Tatiana, editor

Published
2024
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8. Utility of public knowledge bases for the interpretation of comprehensive tumor molecular profiling results

Author

Lebedeva, Alexandra, Timokhin, Grigory, Ignatova, Ekaterina, Kavun, Alexandra, Veselovsky, Egor, Sharova, Margarita, Mileyko, Vladislav, Yakushina, Valentina, Kuznetsova, Olesya, Stepanova, Maria, Shilo, Polina, Moiseenko, Fedor, Volkov, Nikita, Plaksa, Igor, Isaev, Andrey, Gayryan, Margarita, Artemyeva, Elizaveta, Zhabina, Albina, Kramchaninov, Mikhail, Shamrikova, Valentina, Pokataev, Ilya, Rumyantsev, Alexey, Ledin, Evgeny, Tryakin, Alexey, Fedyanin, Mikhail, and Ivanov, Maxim

Published
2023
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9. Recurrent Generalization of F-Polynomials for Virtual Knots and Links

Author

Gill, Amrendra, Ivanov, Maxim, Prabhakar, Madeti, and Vesnin, Andrei

Subjects
Mathematics - Geometric Topology, 57K12
Abstract

F-polynomials for virtual knots were defined by Kaur, Prabhakar and Vesnin in 2018 using flat virtual knot invariants. These polynomials naturally generalize Kauffman's affine index polynomial and use smoothing in classical crossing of a virtual knot diagram. In this paper we introduce weight functions for ordered orientable virtual and flat virtual link. A flat virtual link is an equivalence class of virtual links in respect to a local symmetry changing type of classical crossing in a diagram. By considering three types of smoothings in classical crossings of a virtual link diagram and suitable weight functions, we provide a recurrent construction for new invariants. We demonstrate by providing explicit examples, that newly defined polynomial invariants are stronger than F-polynomials., Comment: 22 pages, 25 figures, 2. tables

Published
2021

11. Conceptual Model of Strategic Management of the Quality Management System as a Tool for Transforming Labor Relations in the Context of Digitalization

Author

Lyamin, Boris, Ivanov, Maxim, Gulnara, Lyaukina, Kacprzyk, Janusz, Series Editor, Gomide, Fernando, Advisory Editor, Kaynak, Okyay, Advisory Editor, Liu, Derong, Advisory Editor, Pedrycz, Witold, Advisory Editor, Polycarpou, Marios M., Advisory Editor, Rudas, Imre J., Advisory Editor, Wang, Jun, Advisory Editor, Dvořáková, Zuzana, editor, and Kulachinskaya, Anastasia, editor

Published
2023
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12. Problems of Information Interaction Between Public Authorities and the Population of St. Petersburg in the Context of the Digital Transformation of the Region

Author

Volodin, Aleksandr, Sokolova, Ekaterina, Degtereva, Viktoriya A., Ivanov, Maxim, Kacprzyk, Janusz, Series Editor, Gomide, Fernando, Advisory Editor, Kaynak, Okyay, Advisory Editor, Liu, Derong, Advisory Editor, Pedrycz, Witold, Advisory Editor, Polycarpou, Marios M., Advisory Editor, Rudas, Imre J., Advisory Editor, Wang, Jun, Advisory Editor, Ilin, Igor, editor, Petrova, Mariana Mateeva, editor, and Kudryavtseva, Tatiana, editor

Published
2023
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17. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Author

Epifanovsky, Evgeny, Gilbert, Andrew TB, Feng, Xintian, Lee, Joonho, Mao, Yuezhi, Mardirossian, Narbe, Pokhilko, Pavel, White, Alec F, Coons, Marc P, Dempwolff, Adrian L, Gan, Zhengting, Hait, Diptarka, Horn, Paul R, Jacobson, Leif D, Kaliman, Ilya, Kussmann, Jörg, Lange, Adrian W, Lao, Ka Un, Levine, Daniel S, Liu, Jie, McKenzie, Simon C, Morrison, Adrian F, Nanda, Kaushik D, Plasser, Felix, Rehn, Dirk R, Vidal, Marta L, You, Zhi-Qiang, Zhu, Ying, Alam, Bushra, Albrecht, Benjamin J, Aldossary, Abdulrahman, Alguire, Ethan, Andersen, Josefine H, Athavale, Vishikh, Barton, Dennis, Begam, Khadiza, Behn, Andrew, Bellonzi, Nicole, Bernard, Yves A, Berquist, Eric J, Burton, Hugh GA, Carreras, Abel, Carter-Fenk, Kevin, Chakraborty, Romit, Chien, Alan D, Closser, Kristina D, Cofer-Shabica, Vale, Dasgupta, Saswata, de Wergifosse, Marc, Deng, Jia, Diedenhofen, Michael, Do, Hainam, Ehlert, Sebastian, Fang, Po-Tung, Fatehi, Shervin, Feng, Qingguo, Friedhoff, Triet, Gayvert, James, Ge, Qinghui, Gidofalvi, Gergely, Goldey, Matthew, Gomes, Joe, González-Espinoza, Cristina E, Gulania, Sahil, Gunina, Anastasia O, Hanson-Heine, Magnus WD, Harbach, Phillip HP, Hauser, Andreas, Herbst, Michael F, Vera, Mario Hernández, Hodecker, Manuel, Holden, Zachary C, Houck, Shannon, Huang, Xunkun, Hui, Kerwin, Huynh, Bang C, Ivanov, Maxim, Jász, Ádám, Ji, Hyunjun, Jiang, Hanjie, Kaduk, Benjamin, Kähler, Sven, Khistyaev, Kirill, Kim, Jaehoon, Kis, Gergely, Klunzinger, Phil, Koczor-Benda, Zsuzsanna, Koh, Joong Hoon, Kosenkov, Dimitri, Koulias, Laura, Kowalczyk, Tim, Krauter, Caroline M, Kue, Karl, Kunitsa, Alexander, Kus, Thomas, Ladjánszki, István, Landau, Arie, Lawler, Keith V, Lefrancois, Daniel, and Lehtola, Susi

Subjects
Physical Sciences, Chemical Sciences, Atomic, Molecular and Optical Physics, Physical Chemistry, Engineering, Chemical Physics, Chemical sciences, Physical sciences
Abstract

This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange-correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear-electronic orbital method, and several different energy decomposition analysis techniques. High-performance capabilities including multithreaded parallelism and support for calculations on graphics processing units are described. Q-Chem boasts a community of well over 100 active academic developers, and the continuing evolution of the software is supported by an "open teamware" model and an increasingly modular design.

Published
2021

19. Polynomials of genus one prime knots of complexity at most five

Author

Ivanov, Maxim and Vesnin, Andrei

Subjects
Mathematics - Geometric Topology, 57M27
Abstract

Prime knots of genus one admitting diagram with at most five classical crossings were classified by Akimova and Matveev in 2014. In 2018 Kaur, Prabhakar and Vesnin introduced families of L-polynomials and F-polynomials for virtual knots which are generalizations of affine index polynomial. Here we introduce a notion of totally flat-trivial knots and demonstrate that for such knots F-polynomials and L-polynomials coincide with affine index polynomial. We prove that all Akimova - Matveev knots are totally flat-trivial and calculate their affine index polynomials., Comment: 11 pages, 7 figures, 4 tables

Published
2019

20. $F$-polynomials of tabulated virtual knots

Author

Ivanov, Maxim and Vesnin, Andrei

Subjects
Mathematics - Geometric Topology, 57M05, 20F05, 57M50
Abstract

A sequence of $F$-polynomials $\{ F^n_K (t, \ell)\}_{n=1}^{\infty}$ of virtual knots $K$ was defined by Kaur, Prabhakar, and Vesnin in 2018. These polynomials have been expressed in terms of index value of crossing and $n$-writhe of $K$. By the construction, $F$-polynomials are generalizations of the Kauffman's Affine Index Polynomial, and are invariants of virtual knot $K$. We present values of $F$-polynomials of oriented virtual knots having at most four classical crossings in a diagram., Comment: 16 pages, 8 figures, 10 tables. arXiv admin note: text overlap with arXiv:1803.05191

Published
2019
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23. Assessment of soil erosion from rainwater runoff within a small non arable catchment

Author

Maltsev Kirill, Ivanov Maxim, Gajnutdinova Gulshat, Avvakumova Alina, and Petrova Elena

Subjects
Environmental sciences, GE1-350
Abstract

The article represents the dynamics of erosion-accumulation processes within the test catchment of the Lena basin over two time periods (1985-1990; 2015-2019) from rainfall-runoff, studied using the WaTEM/SEDEM model. The estimate of soil loss from rainfall-runoff was obtained, taking into account the deposition of part of the eroded soil within the catchment. This is one of the first works that estimates the magnitude of soil erosion within a poorly crop developed catchment from rainwater runoff, taking into account the deposition. It was determined that the measured sediment yield from the test catchment decreased over the two studied periods. The decrease in runoff from the studied territory is explained by a decrease in the intensity of agricultural activity in the catchment, as well as the forest area increase and grassland area reduction.

Published
2024
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24. Vegetation composition analysis for sequestration potential evaluation in the Republic of Tatarstan

Author

Kozhevnikova Maria, Prokhorov Vadim, Usmanov Bulat, Gafurov Artur, and Ivanov Maxim

Subjects
Environmental sciences, GE1-350
Abstract

To assess the carbon sequestration potential of terrestrial ecosystems of the Republic of Tatarstan, vegetation classification was carried out at the class level using the Braun-Blanquet system. 17,000 relevés from the "Flora" database were used as source materials. The classification was carried out using the EuroVeg Checklist expert system in the Juice 7.0 software. A total of 34 classes of vegetation were identified. The 14 largest classes have been selected for vegetation cover modelling.

Published
2024
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27. New Approaches to Stratification of Patients by the Level of Sudden Cardiac Death Risk Using the Data on Energies of Cardiac Micropotentials Obtained by Nanosensor-Based Hardware and Software Complex

Author

Avdeeva, Diana, Maksimov, Ivan, Guo, Wenjia, Ivanov, Maxim, Turushev, Nikita, Yuzhakov, Mikhail, Enshin, Stepan, Mazikov, Sergey, Marchenko, Ekaterina, Balakhonova, Mariya, Kacprzyk, Janusz, Series Editor, Minin, Igor V., editor, Uchaikin, Sergey, editor, Rogachev, Alexander, editor, and Starý, Oldřich, editor

Published
2021
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40. Fabrication and properties of pink 3 mol% yttria‐stabilized zirconia ceramics with high toughness

Author

Liu, Qiang, Yang, Yudie, Chen, Haohong, Zhang, Lixuan, Jing, Yanqiu, Hu, Chen, Chen, Penghui, Li, Tingsong, Ivanov, Maxim, Hreniak, Dariusz, Li, Jiang, Liu, Qiang, Yang, Yudie, Chen, Haohong, Zhang, Lixuan, Jing, Yanqiu, Hu, Chen, Chen, Penghui, Li, Tingsong, Ivanov, Maxim, Hreniak, Dariusz, and Li, Jiang

Abstract

To broaden the applications of yttria-stabilized zirconia (YSZ) in mobile phone back panels and high-end decorative materials, the 3 mol% YSZ (3YSZ) ceramics doped with erbium oxide (Er2O3) as colorant were successfully sintered at 1250 and 1350°C in air. The influences of Er2O3-doping concentration and sintering temperature on the phase, microstructure, color, and mechanical properties of the pink Er2O3-3YSZ ceramics were investigated. As the Er2O3 concentration increased, the redness value a* gradually increased, while the yellowness value b* and the lightness value L* gradually decreased. The highest value a* and b* of Er2O3-3YSZ ceramics reached absolute values of 15.2 and 4.5, respectively. The effect of Er2O3 concentration is also depicted in detail, which also affects the mechanical properties including hardness and fracture toughness of the ceramics. The maximum hardness and fracture toughness of Er2O3-3YSZ ceramics reached 13.9 ± 0.3 GPa and 6.21 ± 0.20 MPa·m1/2, respectively. The hardness of the ceramics exceeds 12.5 GPa, which is the required market index for further practical application. This work provides a method for preparing 3YSZ ceramics with excellent mechanical properties and bright pink color, which has the potential to be used in the fields of advanced and superior electronics in particular.

Published
2024

41. Electrostatic Point Charge Fitting as an Inverse Problem: Revealing the Underlying Ill-Conditioning

Author

Ivanov, Maxim V., Talipov, Marat R., and Timerghazin, Qadir K.

Subjects
Physics - Chemical Physics
Abstract

Atom-centered point charge model of the molecular electrostatics---a major workhorse of the atomistic biomolecular simulations---is usually parameterized by least-squares (LS) fitting of the point charge values to a reference electrostatic potential, a procedure that suffers from numerical instabilities due to the ill-conditioned nature of the LS problem. Here, to reveal the origins of this ill-conditioning, we start with a general treatment of the point charge fitting problem as an inverse problem, and construct an analytically soluble model with the point charges spherically arranged according to Lebedev quadrature naturally suited for the inverse electrostatic problem. This analytical model is contrasted to the atom-centered point-charge model that can be viewed as an irregular quadrature poorly suited for the problem. This analysis shows that the numerical problems of the point charge fitting are due to the decay of the curvatures corresponding to the eigenvectors of LS sum Hessian matrix. In part, this ill-conditioning is intrinsic to the problem and related to decreasing electrostatic contribution of the higher multipole moments, that are, in the case of Lebedev grid model, directly associated with the Hessian eigenvectors. For the atom-centered model, this association breaks down beyond the first few eigenvectors related to the high-curvature monopole and dipole terms; this leads to even wider spread-out of the Hessian curvature values. Using these insights, it is possible to alleviate the ill-conditioning of the LS point-charge fitting without introducing external restraints and/or constraints. Also, as the analytical Lebedev grid PC model proposed here can reproduce multipole moments up to a given rank, it may provide a promising alternative to including explicit multipole terms in a force field.

Published
2015
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49. Noiseless Nanosensor for Non-Invasive Recording of Biopotentials

Author

Аvdeeva, Diana Konstantinovna, primary, Turushev, Nikita Vladimirovich, additional, Yuzhakov, Mikhail Mikhailovich, additional, Ivanov, Maxim L., additional, Kornienko, Aleksandr Ivanovich, additional, Enshin, Stepan I., additional, Maksimov, Ivan V., additional, and Syrkina, Anna G., additional

Published
2024
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