Computer application program

Bernardo DN, Ding YB, Kroghjespersen K, Levy RM (1995) Evaluating polarizable potentials on distributed-memory parallel computers - program-development and applications. J Comput Chem 16(9) 1141-1152... 

But applications usually need a different type of computing environment. The reasoning task, accomplished by AI techniques, often constitutes ten percent or less of the code of an application. The majority of the code is for conventional programming tasks, such as data acquisition, data base access, numerical calculations, and graphics. In each application domain, computer hardware and software has been selected to match the needs of its tasks. In... 

The quote, however, is as true today as it was nearly twenty years ago. We stand on the threshold of exciting new applications for computers both within the field of education and elsewhere. The subject of this paper is a computer program which represents one totally different approach for the use of computers in chemical education. We hope that it is only one new approach out of many that we will see in the future. 

As computers become more pervasive and increasingly powerful, specialized programs and databases are being developed to assist in a wide variety of research efforts. This is true in the search for solvent alternatives, and in this section we review the application of computers to solvent substitution studies and cover computer-aided molecular design of new solvents, methods developed for the prediction of physical properties, methods for predicting less precise chemical characteristics such as toxicity and carcinogenicity, and computer-aided design of alternative synthetic pathways. 

Chemkin is a large body of software designed to facilitate the computational modeling of chemical kinetics in flowing systems. An application program (e.g., a combustion-analysis code) can draw on any of three major software packages ... 

The reader is urged to read Initiation of Explosives by Impact in Vol 7,135-R ff of this Encycl, Whereas that article dealt principally with the testing of expls, we shall want to include propints in the discussion. There is probably no subject in hazards analysis which is so actively studied as the role of impact, shock and thermal effects on the safety of expls and proplnts and which is as poorly understood. We have alluded to this incomplete state of theoretical development in the section of this article on Application of Computer Programming... 

By application of computer and associated programs for optimization with limitations-compromising optimization, the composition of the composite has been determined ... 

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