{"id":3286,"date":"2025-02-06T12:04:37","date_gmt":"2025-02-06T11:04:37","guid":{"rendered":"https:\/\/kmplg.sk\/?page_id=3286"},"modified":"2025-02-17T20:04:15","modified_gmt":"2025-02-17T19:04:15","slug":"theocrystmin-3","status":"publish","type":"page","link":"https:\/\/kmplg.sk\/?page_id=3286&lang=en","title":{"rendered":"TheoCrystMin"},"content":{"rendered":"\n

Basic information about the project<\/a><\/p>\n\n\n\n

Theoretical basis<\/p>\n\n\n\n

BoVaToM software<\/a><\/p>\n\n\n\n

<\/p>\n\n\n\n

\n\n\n\n

Projekt 09I03-03-V04-00060 Application of modern analytical and theoretical methods in the crystal-chemical study of minerals <\/p>\n\n\n\n

Identification of the researcher<\/strong><\/td>Peter Ba\u010d\u00edk<\/td><\/tr>
Support type\/career stage<\/strong><\/td>C) R4 Researcher Scholarship<\/td><\/tr>
Vedn\u00e1 oblas\u0165<\/strong><\/strong><\/td>Natural and medical sciences<\/td><\/tr><\/tbody><\/table><\/figure>\n\n\n\n
Program name:<\/strong><\/td>Recovery and Resilience Plan of the Slovak Republic<\/td><\/tr>
Component:<\/strong><\/td>9. More efficient management and strengthening of research, development and innovation funding of the Recovery and Resilience Plan of the Slovak Republic<\/td><\/tr>
Investition:<\/strong><\/td>3. Excellent science<\/td><\/tr><\/tbody><\/table><\/figure>\n\n\n\n

Annotation of the project<\/strong><\/h2>\n\n\n\n

The main goal of the project is to create a robust theoretical basis for the description of structural properties and crystallochemical properties and processes in minerals. Minerals, unlike synthetic materials, are almost always solid solutions of two or more end compositions. Theoretical mineralogical study is based on several different approaches, but in mineral crystal chemistry, the most promising is the combination of structural and bonding topology and bond strength theory. This approach allows the prediction and analysis of bonding properties in different mineral structures and the determination of the effects of substitutions on both the local structure and the longer range. Moreover, in conjunction with other approaches, such as ligand field theory, it could improve the interpretation and prediction of spectroscopic properties of minerals. Therefore, a wide range of analytical methods will be applied to verify theoretical predictions. The research will focus in detail on specific problems in various oxide minerals (silicates, oxides, phosphates), but also on the development of functional theory and software in general. The project results would have broad applications from basic mineralogy to applications such as gemology, materials physics, and mineral-based technologies.<\/p>\n\n\n\n

Scientific team<\/h2>\n\n\n\n
Team leader<\/strong><\/td>Assoc. Prof. RNDr. Peter Ba\u010d\u00edk, PhD.<\/a><\/td><\/tr>
Members of the team<\/strong><\/td>Assoc. Prof. RNDr. Jana Fridrichov\u00e1, PhD.<\/a>
MSc. Olena Rybnikova, PhD.<\/a>
Mgr. Petra Kardo\u0161ov\u00e1<\/td><\/tr><\/tbody><\/table><\/figure>\n\n\n\n

Publications within the project<\/strong><\/h2>\n\n\n\n

Prepared<\/h3>\n\n\n\n

Ba\u010d\u00edk P., 2025: The bond-topological field modeling I: The bond-topological map of dravite from Forshammar, Sweden. American Mineralogist<\/em>, in prep.<\/em><\/p>\n\n\n\n

Ertl A., Ba\u010d\u00edk P., 2025: How Li can be incorporated into the structure of Al-rich tourmaline. Mineralogical Magazine<\/em>, in prep<\/em>.<\/p>\n\n\n\n

Ba\u010d\u00edk P., 2025: The bond-topological field modeling II: The bond-topological fields and determination of structural effects on an example of the tetrahedral substitutions in tourmaline-supergroup minerals. In prep.<\/em><\/p>\n\n\n\n

Funded by the European Union from the Recovery and Resilience Plan of the Slovak Republic <\/h2>\n\n\n\n
\"\"<\/figure>\n","protected":false},"excerpt":{"rendered":"

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