Best Reference Books – Computational Materials Science

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We have compiled the list of Top 10 Best Reference Books on Computational Materials Science subject. These books are used by students of top universities, institutes and colleges. Here is the full list of top 10 best books on Computational Materials Science along with reviews.

Kindly note that we have put a lot of effort into researching the best books on Computational Materials Science subject and came out with a recommended list of top 10 best books. The table below contains the Name of these best books, their authors, publishers and an unbiased review of books on "Computational Materials Science" as well as links to the Amazon website to directly purchase these books. As an Amazon Associate, we earn from qualifying purchases, but this does not impact our reviews, comparisons, and listing of these top books; the table serves as a ready reckoner list of these best books.

1. “Computational Materials Science: An Introduction” by June Gunn Lee

“Computational Materials Science: An Introduction 1st Edition” Book Review: This text is designed for students and newcomers to computational science. The book covers the important aspects of computational science. The usage of computational tools for problem solving is also explained. The focus of the book is on the electronic structure level of nuclei and electrons and the atomistic/molecular level. The book introduces MD methods along with its application. Illustrations, analogies and examples are used to explain difficult concepts. The density functional theory (DFT), along with its principles and methods have also been explained.

2. “Introduction to Computational Materials Science” by Richard LeSar

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“Introduction to Computational Materials Science: Fundamentals to Applications 1st Edition” Book Review: this book emphasises on the basic principles and important methods in computational science. It also discussed the basics of simulating materials behavior. All important points ranging from electronic structure methods to microstructural evolution are given. The book also provides detailed appendices on quantum mechanics, electrostatics etc. examples and exercises are also provided for better practice.

3. “Computational Fluid Dynamics” by John D Anderson

“Computational Fluid Dynamics 1st Edition” Book Review: This book is designed for those at the senior level in aerospace and mechanical engineering. It can also be used by those in the field of chemical and civil engineering. It is also suitable for beginners as a one semester study book for those in the graduate level. The text is presented in an easy and clear manner.

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4. “MuPAD Pro Computing Essentials” by Miroslaw Majewski

“MuPAD Pro Computing Essentials” Book Review: This book is designed for undergraduate mathematics in different domains. It talks about the basic principles of MuPAD commands. The focus is on providing ways to write and develop programs for an interactive environment for teaching maths. The book also contains a no. of examples.

5. “Quantum Phase Transitions” by Subir Sachdev
6. “Computational Fluid Dynamics: A Practical Approach” by Jiyuan Tu

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“Computational Fluid Dynamics: A Practical Approach 2nd Edition” Book Review: This book is designed for undergraduate and graduate students of mechanical, aerospace, civil, chemical, environmental and marine engineering. It can also be used by those beginning to use the commercial CFD software tools. focuses on the fundamentals of CFD. It also talks about the use of commercial CFD in resolving engineering problems. The book provides an in depth coverage of all aspects of CFD. The text also covers the concepts of high-pressure fluid dynamics and meshless approach. It provides detailed examples, step by step guide and computer screen shots. The way of interpretation of CFD results is also mentioned.

7. “Understanding Molecular Simulation: From Algorithms to Applications” by Daan Frenkel and Berend Smit Professor

“Understanding Molecular Simulation: From Algorithms to Applications (Computational Science Series, Vol 1) 2nd Edition” Book Review: This book provides the basis for molecular simulation of material science. How to implement such stimulation and its practical use have been explained through case studies. The text is updated with new developments in the field. It covers topics such as novel schemes to compute the long ranged forces, defects in solids etc. the book assumes no prior knowledge of computer simulation. The book also contains a number of examples, exercises and case studies.

8. “Green’s Functions in Quantum Physics (Springer Series in Solid-State Sciences)” by Eleftherios N Economou

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“Green’s Functions in Quantum Physics (Springer Series in Solid-State Sciences (7)) 3rd Edition” Book Review: This is an advanced level text. This will be helpful for students who want to understand the method of Green’s function for obtaining solutions in quantum physics.

9. “Computational Methods in Chemical Engineering with Maple” by Ralph E White and Venkat R Subramanian

“Computational Methods in Chemical Engineering with Maple 2010th Edition” Book Review: This book is designed for senior undergraduate or a first year graduate student course in chemical engineering. The book provides maple solutions to the problems of interest to chemical engineers. References for better understanding of concepts is also provided.Chapters move from basics to complexes concepts.

10. “Computational Materials Design (Springer Series in Materials Science)” by imusti

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“Computational Materials Design: 34 (Springer Series in Materials Science)” Book Review: This book is designed for engineers wanting to learn the modern technologies and techniques in this field. It covers a variety of technologies from first-principle calculations to continuum mechanics. Applications have also been mentioned.

People who are searching for Free downloads of books and free pdf copies of these top 10 books on Computational Materials Science – we would like to mention that we don’t have free downloadable pdf copies of these good books and one should look for free pdf copies from these Authors only if they have explicitly made it free to download and read them.

We have created a collection of best reference books on "Computational Materials Science" so that one can readily see the list of top books on "Computational Materials Science" and buy the books either online or offline.

If any more book needs to be added to the list of best books on Computational Materials Science subject, please let us know.

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Manish Bhojasia - Founder & CTO at Sanfoundry
Manish Bhojasia, a technology veteran with 20+ years @ Cisco & Wipro, is Founder and CTO at Sanfoundry. He is Linux Kernel Developer & SAN Architect and is passionate about competency developments in these areas. He lives in Bangalore and delivers focused training sessions to IT professionals in Linux Kernel, Linux Debugging, Linux Device Drivers, Linux Networking, Linux Storage, Advanced C Programming, SAN Storage Technologies, SCSI Internals & Storage Protocols such as iSCSI & Fiber Channel. Stay connected with him @ LinkedIn | Youtube | Instagram | Facebook | Twitter