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portada Computational Studies: From Molecules to Materials (Emerging Materials and Technologies)
Type
Physical Book
Publisher
Author
Language
English
Pages
312
Format
Hardcover
ISBN13
9781032528540
Edition No.
1

Computational Studies: From Molecules to Materials (Emerging Materials and Technologies)

Srivastava Ambrish Kumar (Author) · Crc Press · Hardcover

Computational Studies: From Molecules to Materials (Emerging Materials and Technologies) - Srivastava Ambrish Kumar

New Book Imported to New Zealand *
Delivery: 02 Apr - 09 Apr Shipping: 3 to 4 business days.
NZ$ 587.43
* Import costs and 15% GST included in the price ✅
NZ$ 587.43
Delivery to any New Zealand address between Thursday, April 02 and Thursday, April 09
Origin: United Kingdom Import costs included in the price ✅
Delivery to any New Zealand address between Thursday, April 02 and Thursday, April 09.

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Synopsis "Computational Studies: From Molecules to Materials (Emerging Materials and Technologies)"

The book covers a diverse range of topics based on computational studies including modeling and simulations based on quantum chemical studies and molecular dynamics (MD) simulations. It contains quantum chemical studies on several molecules including biologically relevant molecules and liquid crystals and various aspects of super atomic clusters including super alkalis and super halogens. It gives an overview of MD simulations and their applications on biomolecular systems such as HIV-1 protease and integrase.Features: Includes first principle methods, density functional theory as well as molecular dynamics simulations. Explores quantum chemical studies on several molecules. Gives readers an overview of the power of computation. Discusses super atomic clusters, superalkalis, and superhalogens. Covers themes from molecules, clusters, materials as well as biophysical systems. This book is aimed at researchers and graduate students in materials science and computational and theoretical chemistry.

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