{"product_id":"python-for-quantum-chemistry-qiming-sun-9780443238376","title":"Python for Quantum Chemistry: A Full Stack Programming Guide Volume 23","description":"\u003cp\u003eQuantum chemistry requires ever higher computational performance, with more and more sophisticated and dedicated Python scripts being required to solve challenging problems. Although resources for basic use of Python are widely (and often freely) available online and in literature, truly cohesive materials for advanced Python programming skills are lacking. \u003ci\u003eQiming Sun\u003c\/i\u003e, a developer of the popular Python package PySCF, provides a comprehensive, end-to-end practical resource for researchers and engineers who have basic Python programming experiences chiefly in computational chemistry but want to take their use of the software forwards to the next level, the book provides an insightful exploration of Numpy, Pandas, and other data analysis tools. Readers will learn how to manage their Python computational projects in a professional way, with various tools and protocols for computational chemistry research and general scientific computing tasks exhibited and analysed from a technical perspective. Multiple programming paradigms including object-oriented, functional, meta-programming, dynamic, concurrent, and vector-oriented are illustrated in various technology scenarios allowing readers to properly use them to enhance their program projects. Readers will also learn how to use the presented optimization technologies to speed up their Python applications, even to the level as fast as a native C++ implementation. The applications of these technologies are then demonstrated using quantum chemistry Python applications. \u003ci\u003ePython for Quantum Chemistry: A Full Stack Programming Guide\u003c\/i\u003e is written primarily for graduate students, researchers and software engineers working primarily in the fields of theoretical chemistry, computational chemistry, condensed matter physics, material modelling, molecular simulations, and quantum computing.\u003c\/p\u003e\u003cbr\u003e\u003cbr\u003e\u003cb\u003eAuthor:\u003c\/b\u003e Qiming Sun\u003cbr\u003e\u003cb\u003eISBN-10:\u003c\/b\u003e 0443238375\u003cbr\u003e\u003cb\u003eISBN-13:\u003c\/b\u003e 9780443238376\u003cbr\u003e\u003cb\u003ePublisher:\u003c\/b\u003e Elsevier\u003cbr\u003e\u003cb\u003eLanguage:\u003c\/b\u003e English\u003cbr\u003e\u003cb\u003ePublished:\u003c\/b\u003e 05\/01\/2025\u003cbr\u003e\u003cb\u003ePages:\u003c\/b\u003e 506\u003cbr\u003e\u003cb\u003eFormat:\u003c\/b\u003e Paperback","brand":"Qiming Sun","offers":[{"title":"Paperback","offer_id":46545906958591,"sku":"9780443238376","price":154.99,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0662\/2982\/9887\/files\/img_93a34c96-7ece-438e-ba41-b5ef47b6e067.jpg?v=1738183662","url":"https:\/\/www.whiterainbookhouse.com\/products\/python-for-quantum-chemistry-qiming-sun-9780443238376","provider":"WR Book House","version":"1.0","type":"link"}