Titlebook: Supercomputer and Chemistry; IABG Workshop 1989 Uwe Harms Conference proceedings 1990 Springer-Verlag Berlin Heidelberg 1990 Computational

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,Transputer — A General Survey,de of different processor types. The following article will point out the Transputer’s unique position amongst microprocessors. Not just a few look at the Transputer as the European answer to new and old processor architectures pouring in mostly from USA and Japan. This is especially true since SGS-

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Transputers in Technical Applications,er. Transputer based systems demonstrate the practical feasibility of supercomputer performance integrated with worldwide standards. This is done by means of bus interfaces supporting parallel processing within existing systems, workstations like VAX, PC, PS/2, SUN, VME, MAC, etc. and by making avai

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Quantum Chemical Calculations on MIMD Type Computers,nce of vector computers. We compare MIMD systems with other parallel architectures and stress transputer networks pointing out the benefits of this concept. Two different software environments are discussed, MultiTool, a modified transputer development system (TDS) and the distributed operating syst

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Local Density Functional Calculations on Properties of Large Molecules,f such calculations is briefly introduced. A short overview on applications is given. Summaries of systematic studies are shown to guide expectations on the performance of the approach. Some applications are shown to illustrate the present capability.

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,Density Functional Calculations with Simulated Annealing — New Perspectives for Molecular Calculatiew the problems inherent in such calculations, and show that the combination of density functional calculations with molecular dynamics techniques addresses the main difficulties. The method is applied to structural determinations in sulphur clusters .., where the ground state geometries are describ