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Pattern recognition in chemical dynamics

✍ Scribed by Jane Hylton McCreery; George Wolken Jr.

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
371 KB
Volume
46
Category
Article
ISSN
0009-2614

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✦ Synopsis

Rcccivcd 2 Dcccmbcr 1976 WC have used paltcrn rc~op~tmn method\ to predict the outcome of cl.iss~c~l trqcctory calculations dwxtly from the initlal conditions, bypwing the need to mtegratc the trdjectorics numcncally. Two schemes h.rvc been uwd, a ncdrcst nclghbor method (NN) nnd an ad.lptwe digtal lcarnma rwtwork (ULN). In c.~ch, predwztion succes\ gicatcr than 80% is actncvcd. Roth schcmcs USC ;1 suitable tralnmp wt of known trqcctoria to teach recogmtion of InitisI condrt~on\ and prcdlctlon of trqcctory results. I'or the present c~mplc (two atoms rccombinmg on a FOIKI rur9ce). NN achxvcs a saving in computer tlmc of cl lktor of roughly 500 over rntcgrJtin_r the trqcctorws. t or DLN this hc-WIT I, .IiJotlt 100

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