Progress In Astronautics and Aeronautics

Progress In Astronautics and Aeronautics
Author: E. Brian Pritchard
Publisher: AIAA
Total Pages: 352
Release: 1992
Genre: Human beings
ISBN: 9781600863981

This book is a compilation of scientific papers presented at a July 1991 conference which was scheduled to coincide with the 15th anniversary of the unmanned Viking landing on the planet Mars. The conference was planned to cover past, present and future missions to Mars, with the papers of past missions serving as an historic scientific base, and papers of the future missions to Mars serving as the main focus of the conference. Chapters are grouped into six sections: overviews, prior missions, rationale and benefits of future missions, robotic missions, systems concepts and operations, and technology for future missions.

Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules

Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules
Author: Antonio Laganà
Publisher: Springer Science & Business Media
Total Pages: 436
Release: 2012-12-06
Genre: Science
ISBN: 9400909454

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.