Insertion semantics of quantum interactions
Abstract
The rapid development of the chemical industry and science and new challenges in the field of health care put forward increased demands for the development of the theory of organic and inorganic chemistry, biochemistry and biophysics, the search and implementation of new modelling and analysis methods, and the improvement of technological processes.
One of the safe and fast methods of researching the properties and behavior of new materials and tools is the modelling of relevant experiments, in particular, computer molecular modelling based on mathematical models.
Modelling the interactions between micro and macromolecules at the quantum level allows us to manipulate the substances’ electronic, magnetic, optical and other characteristics and consider the possibilities of creating new chemical bonds, molecular structures, phase transitions, quantum states, and so on.
Accordingly, the main idea of our research is to apply the technology of algebraic modelling and quantum-chemical apparatus for the simulation and verification of experiments in physics, chemistry, and biology areas.
The use of formal algebraic methods allows proving properties and finding relevant scenarios for the effective analysis of the behavior of various objects in real-time, considering not individual scenarios but sets of possible behaviors.
At this research stage, we have developed a methodology for formalization complex organic and inorganic substances, chemical processes and reactions based on the formalization of the interaction of atoms and molecules at the level of quantum interactions.
Prombles in programming 2023; 4: 65-75
Keywords
Full Text:
PDF (Українська)References
Direct formation of hard‐magnetic tetrataenite ... - wiley online library. Crossref
Di Sante, D. et al. (2022) 'Deep learning the functional renormalization group', Physical Review Letters, 129(13). Crossref
Krenn, M. et al. (2016) 'Automated search for new quantum experiments', Physical Review Letters, 116(9). Crossref
Husain, A.A. et al. (2023) 'Pines' demon observed as a 3D acoustic plasmon in SR2RUO4', Nature, 621(7977), pp. 66-70. Crossref
Castro, P. et al. (2023) 'Emergence of the Chern supermetal and pair-density wave through higher-order Van Hove singulari-ties in the haldane-hubbard model', Physi-cal Review Letters, 131(2). Crossref
Atkins, P. and Friedman, R. (2010) 'The foundations of Quantum Mechanics', Molecular Quantum Mechanics [Preprint]. Crossref
Barbosa, N.S., Lima, E.R. and Tavares, F.W. (2017) 'Molecular modeling in Chemical Engineering', Reference Module in Chemistry, Molecular Sciences and Chemical Engineering [Preprint]. Crossref
Assadi, M.Hussein. and Hanaor, D.A. (2013) 'Theoretical study on Copper's en-ergetics and magnetism in tio2 poly-morphs', Journal of Applied Physics, 113(23). Crossref
van Mourik, T. and Gdanitz, R.J. (2002) 'A critical note on density functional theory studies on rare-gas dimers', The Journal of Chemical Physics, 116(22), pp. 9620-9623. Crossref
Vondrasek, J. et al. (2005) 'Unexpectedly strong energy stabilization inside the hy-drophobic core of small protein rubredoxin mediated by aromatic residues: correlated ab initio quantum chemical calculations [J. amer. chem. soc. 2005, 127, 2615−2617].', Journal of the American Chemical Society, 127(22), pp. 8232-8232. Crossref
Johnston, R.L. (2003) 'Book review: Essentials of computational chemistry: Theories and models. by Christopher J. Cramer', ChemPhysChem, 4(4), pp. 402-402. Crossref
Sharma, M. and Deswal, S. (2022) 'drugs-protein affinity‐score prediction using Deep Convolutional Neural Network', Expert Systems, 39(10).Crossref
Kuenzi, B.M. et al. (2020) 'Predicting drug response and synergy using a deep learning model of human cancer cells', Cancer Cell, 38(5). Crossref
Gentile, F. et al. (2022) 'Artificial Intelli-gence-enabled virtual screening of ultra-large chemical libraries with deep docking', Nature Protocols, 17(3), pp. 672-697. Crossref
Zitnick, L., et al. (2022). 'Spherical channels for modeling atomic interactions' Advances in Neural Information Processing Systems, 35, pp. 8054-8067.
Letichevsky, A., Letychevskyi, O. and Peschanenko, V. (2016) 'Insertion Modeling and Its Applications', Computer Science Journal of Moldova, 24 (3), Pp. 357-370.
APS and IMS are best for rewriting and modelling (2023). Available at: http//www.apsystem.org.ua (Accessed: 21 November 2023).
Letichevsky, A. and Gilbert, D. A. (1999) 'Model for Interaction of Agents and Environments', Recent Trends in Algebraic Development Techniques, 1827, pp.311-328. Crossref
Baranov, S. et al. (2003) 'Leveraging UML to deliver correct telecom applications', UML for Real, pp. 323-342. Crossref
.Letichevsky, A.A. et al. (2005) 'System Specification by Basic Protocols',. Cybernetics and System Analyses, 41, pp. 479-493. Crossref
Letichevsky, A. et al. (2005) 'Basic protocols, message sequence charts, and the verification of requirements specifications', Computer Networks, 49(5), pp. 661-675. Crossref
Letychevskyi, O., Peschanenko, V. and Volkov, V. (2022) 'Algebraic virtual ma-chine and its applications', Information and Communication Technologies in Education, Research, and Industrial Applications, pp. 23-41. Crossref
Letychevskyi, O. et al. (2022) 'Algebraic modeling of molecular interactions', Communications in Computer and Information Science, pp. 379-387. Crossref
Letychevskyi, O. et al. (2023) 'Algebraic Modeling System for Supporting Research in Medicine and Pharmacology', Proceedings of the The12th IEEE International Conference on Intelligent Data Acquisition and Advanced Computing Systems: Technology and Applications, 2, pp. 1093-1098
DOI: https://doi.org/10.15407/pp2023.04.065
Refbacks
- There are currently no refbacks.