This virtual molecular world

Abstract

The existing rules and computing techniques are of little use for directed research dedicated to the real molecular world whose objects are enormous in number and diversity. Any progress is possible only through introducing forward-looking numerical computer experiments into the research practice. This requires changing from analysis of single objects and calculation of individual characteristics and properties to designing a virtual molecular world. Its objects, unlimited in number, can, similarly to real objects, respond to external actions and differ from one another. At the same time, by contrast to real objects, they can grow in complexity through interactions, accumulate energy, transform the initial information, etc. In this context, the prospects of designing such a world were discussed, as well as the methodological requirements on problem statement and solving as regards the theoretical and program construction aspects.