{"product_id":"computational-studies-from-molecules-to-materials-9781032578583","title":"Computational Studies: From Molecules to Materials","description":"\u003cp\u003e • Author(s): Ambrish Kumar Srivastava\u003cbr\u003e • Publisher: CRC Press\u003cbr\u003e • Publisher Imprint: CRC Press\u003cbr\u003e • BISAC: Chemistry - Physical \u0026amp; Theoretical\u003c\/p\u003e\u003cp\u003e\u003c\/p\u003e\u003cp\u003eThe 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 superatomic clusters including superalkalis and superhalogens. It gives an overview of MD simulations and their applications on biomolecular systems such as HIV-1 protease and integrase.\u003c\/p\u003e\u003cp\u003eFeatures: \u003c\/p\u003e\u003cul\u003e \u003cli\u003eIncludes first principle methods, density functional theory, as well as molecular dynamics simulations.\u003c\/li\u003e \u003cli\u003eExplores quantum chemical studies on several molecules.\u003c\/li\u003e \u003cli\u003eGives readers an overview of the power of computation.\u003c\/li\u003e \u003cli\u003eDiscusses superatomic clusters, superalkalis, and superhalogens.\u003c\/li\u003e \u003cli\u003eCovers themes from molecules, clusters, materials, as well as biophysical systems.\u003c\/li\u003e \u003c\/ul\u003e\u003cp\u003eThis book is aimed at researchers and graduate students in materials science and computational and theoretical chemistry.\u003c\/p\u003e","brand":"CRC Press","offers":[{"title":"Paperback","offer_id":47773018128535,"sku":"9781032578583","price":8056.0,"currency_code":"INR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0666\/3471\/1191\/files\/9781032578583.webp?v=1777977194","url":"https:\/\/atlanticbooks.com\/products\/computational-studies-from-molecules-to-materials-9781032578583","provider":"Atlantic Books","version":"1.0","type":"link"}