ファジィ概念を用いた化学反応理論に関する基礎的研究

高温超导体的最新发现和分子生物学的显著发展，都证明了化学的重要作用，也表明了摆脱以往方法的新思路的必要性。在这种情况下，在本项目中，我们通过考虑范式发展了一些化学研究：“数学共性的物理专门化，物理共性的化学专门化，以及化学共性的生物学专门化”，人们应该注意到，到目前为止，它们之间似乎没有界限的研究。作为实现这一目的的可能性之一，我们一直在研究超级计算机的新用途，这显然是处理自然特殊性的强大工具。主要完成了以下几个方面的研究工作：(1)利用自催化相互作用理论研究一定序列聚合物的生成机理；(2)将化学反应机理作为一个非平衡态的过程进行分子动力学研究。

Recent findings of high temperature superconductors and the remarkable development of molecular biology, both certify the important role of chemistry and show the necessity of new ideas free from previous methods. Under the circumstances, we have developed, in the present project, a number of chemical studies by taking into consideration the paradigm ; "the physical specialization of the mathematical generality, the chemical specialization of the physical generality, and the biological specialization of the chemical generality", where one should notice that there seem to be no boundary researches among them until now. As one of possibilities for the purpose, we have been studying new usages of supercomputer which is clearly a powerful tool to deal with the speciality of nature. As results, we have accomplished the following main researches ; (1) The mechanism of definite sequence polymer generation by means of the autocatalytic interaction theory, (2) Molecular dynamical studies of chemical reaction mechanism as a process in non-equilibrium state.