Similarity calculation device, similarity calculation method, and computer-readable recording medium recording program

A similarity calculation method that calculates a similarity between a first material and a second material, the similarity calculation method comprising:

• creating, by a computer, a conflict graph that is a graph that has a plurality of nodes made up of combinations of respective atoms that constitute the first material and respective atoms that constitute the second material, and an edge formed between two nodes among the plurality of nodes, and that has an edge between two nodes when the nodes are compared and are not identical to each other, and has no edge between two nodes when the nodes are compared and are identical to each other;
• searching for a maximum independent set in the conflict graph by executing a ground state search using an annealing method;
• and
• computing the similarity between the first material and the second material based on the maximum independent set, wherein
• the plurality of nodes of the conflict graph is each made up of a combination of two atoms that have an atom type that is same between the first material and the second material, the atom type being subdivided more finely than elemental species.

A non-transitory computer-readable recording medium having stored therein a program causing a computer to perform a creation process of:

• creating a conflict graph that is a graph that has a plurality of nodes made up of combinations of respective atoms that constitute the first material and respective atoms that constitute the second material, and an edge formed between two nodes among the plurality of nodes, and that has an edge between two nodes when the nodes are compared and are not identical to each other, and has no edge between two nodes when the nodes are compared and are identical to each other;
• searching for a maximum independent set in the conflict graph by executing a ground state search using an annealing method;
• and
• computing the similarity between the first material and the second material based on the maximum independent set, wherein
• the plurality of nodes of the conflict graph is each made up of a combination of two atoms that have an atom type that is same between the first material and the second material, the atom type being subdivided more finely than elemental species.