量子相互作用的插入语义

Yuliia Tarasich, H. Soloshenko
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引用次数: 0

摘要

化学工业和科学的飞速发展以及医疗保健领域的新挑战,对有机化学和无机化学、生物化学和生物物理理论的发展、新建模和分析方法的探索和实施以及技术工艺的改进提出了更高的要求。研究新材料和新工具的特性和行为的安全快捷方法之一是建立相关实验模型,特别是基于数学模型的计算机分子模型。在量子水平上模拟微分子和大分子之间的相互作用,使我们能够操纵物质的电子、磁性、光学和其他特性,并考虑创建新化学键、分子结构、相变、量子态等的可能性。因此,我们研究的主要思路是将代数建模技术和量子化学仪器应用于物理、化学和生物领域的模拟和验证实验。使用形式化代数方法可以证明属性并找到相关情景,从而有效地实时分析各种对象的行为,考虑的不是单个情景,而是可能的行为集。在这一研究阶段,我们在量子相互作用层面上对原子和分子的相互作用进行形式化的基础上,开发了一种对复杂的有机和无机物质、化学过程和反应进行形式化的方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Insertion semantics of quantum interactions
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.
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