<br> Content: Supercomputer research in chemistry and chemical engineering : an introduction / Klavs F. Jensen and Donald G. Truhlar --<br/> Theoretical approaches to metal chemistry / Charles W. Bauschlicher, Jr., Stephen R. Langhoff, Harry Partridge, Timur Halicioglu, and Peter R. Taylor --<br/> T
Supercomputers in Chemistry
β Scribed by Peter Lykos and Isaiah Shavitt (Eds.)
- Publisher
- American Chemical Society
- Year
- 1981
- Tongue
- English
- Leaves
- 277
- Series
- ACS Symposium Series 173
- Category
- Library
No coin nor oath required. For personal study only.
β¦ Synopsis
Content: The use of vector processors in quantum chemistry : experience in the United Kingdom / Martyn F. Guest and Stephen Wilson --
The academic computer resources in Japan and their contributions to theoretical chemistry / Katsunori Hijikata --
Supercomputer requirements for theoretical chemistry / Robert B. Walker, P. Jeffrey Hay, and Harold W. Galbraith --
The integration of chemical rate equations on a vector computer / Theodore R. Young and Marie C. Flanigan --
The use of a high-speed vector processor machine for chemical kinetic sensitivity analysis / David Edelson, Linda C. Kaufman, and Daniel D. Warner --
The effect of buoyancy on the thermal ignition of carbon monoxide / Walter W. Jones --
Supercomputers and the problem of organic synthesis / Malcolm Bersohn --
Computer methods of molecular structure elucidation from unknown mass spectra / In Ki Mun and Fred W. McLafferty --
The relative performances of several scientific computers for a liquid molecular dynamics simulation / D.M. Ceperley --
The need for supercomputers in time-dependent polymer simulations / Marvin Bishop, David Ceperley, H.L. Frisch, and M.H. Kalos --
Applications of large-scale computers and computer graphics : investigations of biological macromolecular structure, function, and evolution / Arthur M. Lesk and Karl D. Hardman --
Computer simulation of biomolecular systems / P. Dauber, Murray Goodman, A.T. Hagler, D. Osguthorpe, R. Sharon, and P. Stern --
A micro vector processor for molecular mechanics calculations / David N.J. White --
Programming language for supercomputers / Richard L. Lozes --
The advanced flexible processor, array architecture / Bruce Colton.
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This volume represents the contributions of the 1989 IABG workshop on supercomputers and chemistry.
<p>Massive amounts of numeric data are far more comprehensible when converted into graphical form. Hence visualization is becoming an integral part of many areas of research. The idea of visualization is not new, but techniques for visualization are still being developed, and visualization research
The first volume in this new series has a companion in volume 2 (unseen), Parallel processing in computational mechanics . The first six contributions present general aspects of supercomputing from both hardware and software engineering points of view. Subsequent chapters discuss homotopy algorithms