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Ab initio Calculation Tutorial
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1445850Ab initio Calculation Tutorialhttps://www.gandhi.com.mx/ab-initio-calculation-tutorial/phttps://gandhi.vtexassets.com/arquivos/ids/1420325/f7e62f75-b58d-40a9-84c2-6cb6aac016cb.jpg?v=63879257224853000012511390MXNSpringer Nature SingaporeInStock/Ebooks/Especializados y técnicos/Química//Ebooks/Especializados y técnicos//Ebooks/<p>This textbook covers the framework of first-principles analysis applied to materials using density functional theory (DFT). It provides a set of hands-on tutorials using the Quantum ESPRESSO package, an open-source software for DFT. The tutorials are well chosen, designed for maximum effectiveness while requiring a minimum of the readers time, and the book describes how the essential components are combined to create the practical applications based on the idea of modeling practical problems of materials. The book carefully explains how to prepare the platform to run the tutorials assisted by free software. This textbook is useful for students in experimental laboratories, for industrial researchers, and for those not majoring in theoretical studies but learning individually.</p>...1429767Ab initio Calculation Tutorial12511390https://www.gandhi.com.mx/ab-initio-calculation-tutorial/phttps://gandhi.vtexassets.com/arquivos/ids/1420325/f7e62f75-b58d-40a9-84c2-6cb6aac016cb.jpg?v=638792572248530000InStockMXN99999DIEbook20239789819909193_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_<p>This textbook covers the framework of first-principles analysis applied to materials using density functional theory (DFT). It provides a set of hands-on tutorials using the Quantum ESPRESSO package, an open-source software for DFT. The tutorials are well chosen, designed for maximum effectiveness while requiring a minimum of the readers time, and the book describes how the essential components are combined to create the practical applications based on the idea of modeling practical problems of materials. The book carefully explains how to prepare the platform to run the tutorials assisted by free software. This textbook is useful for students in experimental laboratories, for industrial researchers, and for those not majoring in theoretical studies but learning individually.</p>...9789819909193_Springer Nature Singaporelibro_electonico_e21626aa-3c7b-3442-b446-ae0f3684fb0b_9789819909193;9789819909193_9789819909193Ryo MaezonoInglésMéxico2023-05-16T00:00:00+00:00Springer Nature Singapore