[Book] First Principles Calculation: A Collection of Case Studies by Material and Device for Structural Optimization
BC120301
To make effective use in the development field... a detailed explanation of the basic matters!
"What physical property values can be calculated?" "Can we handle the physical property value called ○△?" "How can I obtain the calculation code?" "I want to simulate property predictions." "How can we achieve high-accuracy molecular design?" "I want to utilize it for writing papers." ⇒ With detailed explanations and examples, this aims to provide an introduction to structure optimization of materials and devices using first-principles calculations! This book is for everyone engaged in first-principles calculations, from beginners to advanced users.
Inquire About This Product
basic information
Publication Date: March 22, 2012 Price: 62,000 yen + tax Format: B5 size, 342 pages ISBN: 978-4-905545-38-5 *For detailed content, please download the catalog.*
Price range
P2
Delivery Time
P2
Applications/Examples of results
◎The First Step to Introduction … First-principles calculations that even beginners can understand! - The theory and concepts of first-principles calculations - What can be understood through first-principles calculations and how to investigate it - An example of software used ⇒ Practical explanations for sufficient understanding before calculations! ◎Utilization of first-principles calculations in material development… How can they be effectively utilized? - Single crystal semiconductors • Compound semiconductors • Organic semiconductors • Transparent conductive films - Ferroelectrics • Quantum dots • Adhesion at plating film/substrate interfaces - Catalyst surfaces • Magnetic materials • Phosphors • Nanoparticles… ◎Practical applications to various devices… How are first-principles calculations being utilized? - Efforts towards reliability design of multilayer ceramic capacitors - Cathode materials and electrode-electrolyte interfaces in lithium-ion batteries - Solar cells (compound thin films, organic thin films, dye-sensitized, novel high-efficiency) - Organic EL organic/metal interface systems • Organic TFTs • Oxide semiconductor TFTs… ⇒ Understand through examples of calculations and simulations, including calculation methods, software used, and selection of basis functions!
catalog（2）
Download All Catalogs![[Book] First Principles Calculation: A Collection of Case Studies for Material and Device-Specific Structural Optimization](https://image.www.ipros.com/public/catalog/image_generated/01/7a9/294112/294112_IPROS2367247694383515165_1.jpg?w=120&h=170)
![[Book] Local Structure Analysis and State Analysis Techniques Using XAFS/EELS](https://image.www.ipros.com/public/catalog/image_generated/01/b88/307851/307851_IPROS598648494727974649_1.jpg?w=120&h=170)
Company information
The information organization aims to contribute to industry development through technology seminars in fields such as chemistry, pharmaceuticals, electronics, machinery, environment, cosmetics, and food, as well as the publication of technical books, correspondence education courses, and DVDs that record seminars.
