Computer developments

A recent victim of the killer micros was Evans and Sutherland s parallel computer development effort, halted ia 1990. Their architecture combiaed a small number of approximately 1-MFLOPS processors iato semi-iadependent functional units. Several of these units could, ia turn, be combiaed to form a processor hierarchy, building up to systems that were expected to cost between 1 and 8 million dollars. With the advent of lO-MFLOPS uniprocessor killer micros, such an architecture became irrelevant and the project was halted. The RISC killer micro could deUver the same level of performance as could the combiaed efforts of 10 of the 1-MFLOPS processors, evea with the unlikely assumptioa that the problem could be perfectiy parallelized across 10 processors. 

From our reformulation experience, we have found that in majority of the cases, computer developed formulations are lower in cost. A 5% reduction in raw material cost can easily be realized. 

Dykstra, C. E., R. A. Chiles, and M. D. Garrett. 1981. Recent Computational Developments with the Self-Consistent Electron Pairs Method and Application to the Stability of Glycine Conformers. J. Comput. Chem. 2, 266-272. 

Molecular dynamics simulations are capable of addressing the self-assembly process at a rudimentary, but often impressive, level. These calculations can be used to study the secondary structure (and some tertiary structure) of large complex molecules. Present computers and codes can handle massive calculations but cannot eliminate concerns that boundary conditions may affect the result. Eventually, continued improvements in computer hardware will provide this added capacity in serial computers development of parallel computer codes is likely to accomplish the goal more quickly. In addition, the development of realistic, time-efficient potentials will accelerate the useful application of dynamic simulation to the self-assembly process. In addition, principles are needed to guide the selec-... 

Together, all the inferences from both computational modeling and simulation (which can reveal novel aspects of the receptor mechanisms, based on the dynamic properties of the proteins) serve as mechanistic working hypotheses for new and more focused experiments. This mode of closely considered interactions and synergy between computational developments and experimental probing of the receptor systems has become a sustained characteristic of current studies of structure-function... 

The ideal programming method is a so-called automatic coding system. In its ultimate form this would require only that the problem be stated in unambiguous mathematical terms. From this statement the computer develops its own efficient machine-language program. While... 

N.Chapin, An Introduction to Automatic Computers, Technology Center,Chicago, 111(1955) 6)US National Bureau of Standards, "Computer Development(SEAC DYSEAC) at the NBS, Govt PrntgOff, Washington... 

Though unstable, the computer industry grew rapidly during the 1960s, and the final piece of the computer development puzzle, time-sharing, came about late in the decade. Efforts to develop and commercialize time-shared computers were led by General Electric s computer department, which was quickly overtaken by IBM, UNIVAC, and Digital Equipment Corp. 

Both formal analysis and computational developments associated with DFT can be carried over intact to nDFT. For example, the exact two-particle ground-state density, no(x), can be determined through a constrained search [34] for that many-particle, properly symmetrized or antisymmetrized wave function, with symmetry imposed with respect to ordinary particles, which yields n0 and also minimizes the many-particle energy, T + Vpp, where Vpp denotes the interparticle interaction in two-particle space. Essentially any method developed within a single-particle application of DFT for the study of electronic structure can, with appropriate technical modifications, be extended to two-, or rc-particle states. The use of multiple-scattering theory to calculate fully correlated two-particle densities in solids will be given in a future publication. 

Laser-based spectroscopic probes promise a wealth of detailed data--concentrations and temperatures of specific individual molecules under high spatial resolution--necessary to understand the chemistry of combustion. Of the probe techniques, the methods of spontaneous and coherent Raman scattering for major species, and laser-induced fluorescence for minor species, form attractive complements. Computational developments now permit realistic and detailed simulation models of combustion systems advances in combustion will result from a combination of these laser probes and computer models. Finally, the close coupling between current research in other areas of physical chemistry and the development of laser diagnostics is illustrated by recent LIF experiments on OH in flames. 

The need for technology development drives science, and discoveries in science drive society. Arguably, the first personal computers were mass-marketed by IBM and Apple in the late 1970 s. The IBM 5100 had 16K memory, a five inch screen, and cost nearly 11,000 in 1975 A mere twenty-five years later, computers are everywhere and used for everything. They have gigabytes of memory and monitors larger than some televisions Why did computers develop so quickly Because of the interconnection between science, technology, and society. 

Y. H. Ohtsuki, Recent Theoretical (Computational) Developments in Atomic Collisions in Solids, Based on a symposium held in Strasbourg, France, 14-16 July 1981, World Scientific, Singapore, 1983. 

Dennis R. Salahub and Michael C. Zerner, The Challenge of d and f Electrons Theory and Computation. Developed from a symposium at the 3rd Chemical Congress of North America, Toronto, Canada, June 5-11, 1988, in ACS Symposium Series 394, American Chemical Society, Washington, DC,... 

By use of a digital computer, develop and present a printout of the data of effective interest versus nominal interest compounded continuously as given in Table 2. 

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