عنوان

Electronic structure calculations on graphics processing units :

شابک

1118670701

شابک

111867071X

شابک

9781118670705

شابک

9781118670712

شابک اشتباه

1118670698

شابک اشتباه

9781118661789 (hardback)

شابک اشتباه

9781118670699

شماره

dltt

عنوان اصلي

Electronic structure calculations on graphics processing units :

نام عام مواد

[Book]

ساير اطلاعات عنواني

from quantum chemistry to condensed matter physics /

نام نخستين پديدآور

edited by Ross C. Walker and Andreas W. Goetz

تاريخ

1605

نام خاص و کميت اثر

1 online resource

متن يادداشت

Includes bibliographical references and index

متن يادداشت

"Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics provides an overview of computing on graphics processing units (GPUs), a brief introduction to GPU programming, and the latest examples of code developments and applications for the most widely used electronic structure methods. The book covers all commonly used basis sets including localized Gaussian and Slater type basis functions, plane waves, wavelets and real-space grid-based approaches. The chapters expose details on the calculation of two-electron integrals, exchange-correlation quadrature, Fock matrix formation, solution of the self-consistent field equations, calculation of nuclear gradients to obtain forces, and methods to treat excited states within DFT. Other chapters focus on semiempirical and correlated wave function methods including density fitted second order Moshlasser-Plesset perturbation theory and both iterative and perturbative single- and multireference coupled cluster methods. Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics presents an accessible overview of the field for graduate students and senior researchers of theoretical and computational chemistry, condensed matter physics and materials science, as well as software developers looking for an entry point into the realm of GPU and hybrid GPU/CPU programming for electronic structure calculations"--

عنوان

Electronic structure calculations on graphics processing units

شماره استاندارد بين المللي کتاب و موسيقي

9781118661789

موضوع مستند نشده

Electronic structure-- Computer simulation.

موضوع مستند نشده

Electronic structure-- Mathematical models.

موضوع مستند نشده

Graphics processing units-- Programming.

موضوع مستند نشده

Mathematical physics.

موضوع مستند نشده

TEC-- 009070

شماره

ويراست

شماره رده

مستند نام اشخاص تاييد نشده

Goetz, Andreas W.

مستند نام اشخاص تاييد نشده

Walker, Ross C.

مستند نام تنالگان تاييد نشده

Ohio Library and Information Network.

تاريخ عمليات

20160310183520.0

قواعد فهرست نويسي ( بخش توصيفي )

rda

نام الکترونيکي

نوع ماده

[Book]

تكميل شده

Y