| 摘要 |
PROBLEM TO BE SOLVED: To shorten the time for retrieving a stable coupling structure.SOLUTION: An information processing device calculates potential energy U (x, 0.2) of a structure Xobtained by variation of initial momentum distribution of a reference structure Xcomprising a first substance 21 and a second substance 22 caused by interaction energy λ=0.1 of the first substance 21 and the second substance 22, and potential energy U (x, 0.2) of a structure Xobtained by variation of the initial momentum distribution of the reference structure Xcaused by interaction energy λ=0.2 of the first substance 21 and the second substance 22. The device compares the values of the potential energy U (x, 0.2) and the potential energy U (x, 0.2) calculated. The device then determines the structure Xhaving the smaller value compared as a reference structure for calculating potential energy of a structure obtained by variation of the initial momentum distribution caused by the interaction energy λ=0.2. |
