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Registration Number

0222U002895, 0119U001548 , R & D reports

Title

"Machine learning approaches with use of neural networks and hierarchical methods of study of thermodynamic characteristics of solids".

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Head

Pozhyvatenko Vitalii V,

Registration Date

16-02-2022

Organization

V.O. Sukhomlynskyi Mykolaiv National University

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Object of research – alkaline-earth oxides and chalcogenides; ternary compounds of oxides and chalcogenides; quaternary compounds alkaline-earth oxide MgCaSrO. The aim of the work is to study the thermodynamic properties and structural phase transitions in alkaline-earth oxides and chalcogenides and in their ternary and quaternary compounds. The research methods are the use of first-principles approaches based on density functional theory which precede the application of machine learning methods. Calculations of thermodynamic properties and characteristics of phase transitions of alkaline-earth oxides and chalcogenides and their ternary and quaternary solid solutions have been performed.  

Product Description

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Pozhyvatenko Vitalii Volodymyrovych

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2022-03-09