Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Molecules

Name: Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Molecules
Brand: Springer Nature
SKU: 9789400909458
Availability: InStock

Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Molecules

Brand

Springer Nature

Manufacturer

N/A

Part Number

GTIN

9789400909458

Condition

New

0 Reviews

0 Questions | 0 Answers

Product Description

The need for accurate computational procedures to evaluate detailed properties of gas phase chemical reactions is evident when one considers the wealth of information provided by laser, molecular beam and fast How experiments. By stressing ordinary scalar computers to their limiting performance quantum chemistry codes can already provide sufficiently accurate estimates of the stability of several small molecules and of the reactivity of a few elementary processes. However, the accurate characterization of a reactive process, even for small systems, is so demanding in terms of computer resources to make the use of supercomputers having vector and parallel features unavoidable. Sometimes to take full advantage from these features all is needed is a restructure of those parts of the computer code which perform vector and matrix manipulations and a parallel execution of its independent tasks. More often, a deeper restructure has to be carried out. This may involve the problem of choosing a suitable computational strategy or the more radical alternative of changing the theoretical treatment. There are cases, in fact, where theoretical approaches found to be inefficient on a scalar computer exhibit their full computational strength on a supercomputer.

Available Colors

N/A

Available Sizes

Small

1 Offer Price Range: $39.99 - $39.99

BEST PRICE

Single Product Purchase

$39.99

@ Link.springer.com BUY Now

Price Comparison

Seller	Contact Seller	List Price	On Sale	Shipping	Best Promo	Final Price	Volume Discount	Financing	Availability	Seller's Page
BEST PRICE 1 Product Purchase @ Link.springer.com Rate Seller This functionality is for registered users only. Go to Login/Register		$39.99	$39.99			$39.99		See Site	In stock	Visit Store