Abstract: A non-transitory computer-readable storage medium storing an optimization program that causes at least one computer to execute a process, the process includes setting, for a region of a design target, a plurality of Gaussian functions as basis functions of a shape function that corresponds to a shape of a design target item in the region; and identifying the shape of the design target item indicated by the shape function obtained by combining the plurality of Gaussian functions identified to be disposed by identifying whether to dispose the plurality of Gaussian functions.

Abstract: A non-transitory computer-readable storage medium storing a flow generation program that causes at least one computer to execute a process, the process includes based on first metadata that corresponds to a first problem of processing flow generation, selecting a processing flow that corresponds to a second problem with second metadata with a certain similarity level with respect to the first metadata by referring to a memory that stores a plurality pieces of metadata and a plurality of processing flows that correspond to each of a plurality of problems, the plurality of problems including the first problem and the second problem; and specifying a tree structure of the process flow that corresponds to the first problem based on genetic programming that uses the selected processing flow as an initial individual.

Abstract: An apparatus includes a memory and a processor coupled to the memory. The processor is configured to: determine a degree of similarity between a target material and a first material based on a structure and characteristic of each of the target material and the first material; predict a characteristic value of the target material based on a first value representing the characteristic of the first material; and output the predicted characteristic value.

Abstract: A non-transitory computer-readable recording medium storing an arithmetic program of searching for a combination of a plurality of explanatory variables such that an objective variable satisfies a predetermined condition by evolving a plurality of individuals each identified by the plurality of explanatory variables, the arithmetic program causing a computer to execute processing including: setting a constraint on the combination of the plurality of explanatory variables and controlling an intermediate variable that varies the explanatory variables of each of the plurality of individuals independently of the constraint; and evaluating an objective function obtained using the explanatory variables varied by the intermediate variable.

Abstract: An information processing device includes; a memory; and a processor coupled to the memory and configured to: optimize performance of a mixture of a plurality of substances; in an energy function formula for weighting each of a plurality of physical properties in the mixture and performing a calculation to optimize the performance of the mixture, collectively incorporate a plurality of the physical properties that has a relationship correlated with one characteristic among the plurality of the physical properties into the energy function formula as the one characteristic; and simplify the energy function formula.

Abstract: A nanoribbon includes a structure represented by a structural formula (8), where g, p, q, r, s, t, and u are mutually independent and are integers greater than or equal to 1, R1, R2, R3, R4, R5, R6, R7, and R8 are mutually independent and are one of a hydrogen atom, a substituent, an alkyl moiety, a phenyl moiety, and a halogen atom, and A denotes a hydrogen atom or an aryl group.

Abstract: A storage medium storing an information processing program that causes a computer to execute a process that includes generating a solution set of a combination of the value and the index value by performing first multi-objective optimization by using a first objective function that searches for a value of the characteristic variable and a second objective function that searches for an index value that indicates reliability of the value; specifying an index value included in a combination that serves as a solution in a case where a characteristic variable is a certain value in the generated solution set; and generating a solution set of a combination of the respective values of the plurality of characteristic variables by performing second multi-objective optimization by using an objective function that searches for a value of each of a plurality of characteristic variables.

Abstract: An information processing method is performed by a computer for evaluating flammability of a mixed refrigerant material containing a plurality of components. The method includes: calculating, for each of the plurality of components, a second value obtained by multiplying a mixture ratio thereof in the mixed refrigerant material by a first value obtained based on numbers of hydrogen atoms, halogen atoms, and double bonds included in a molecular structure thereof; calculating a total sum of the second value calculated for each of the plurality of components; and classifying the mixed refrigerant material into a predetermined flammability class based on the total sum.

Abstract: A nanoribbon includes a structure represented by a structural formula (8), where g, p, q, r, s, t, and u are mutually independent and are integers greater than or equal to 1, R1, R2, R3, R4, R5, R6, R7, and R8 are mutually independent and are one of a hydrogen atom, a substituent, an alkyl moiety, a phenyl moiety, and a halogen atom, and A denotes a hydrogen atom or an aryl group.

Abstract: A non-transitory computer-readable storage medium storing an information processing program that causes a processor included in an information processing apparatus that analyzes a first molecule different from all of a plurality of molecules based on characteristic data of each of the plurality of molecules to execute a process, the process includes specifying a structure descriptor that is an index based on each of structures of the plurality of molecules; and generating a model used to analyze the first molecule based on the structure descriptor and a similarity between each of the structures of the plurality of molecules.

Abstract: A nanoribbon includes a structure represented by a structural formula (8), where g, p, q, r, s, t, and u are mutually independent and are integers greater than or equal to 1, R1, R2, R3, R4, R5, R6, R7, and R8 are mutually independent and are one of a hydrogen atom, a substituent, an alkyl moiety, a phenyl moiety, and a halogen atom, and A denotes a hydrogen atom or as aryl group.

Abstract: An information processing device includes; a memory; and a processor coupled to the memory and configured to: optimize performance of a mixture of a plurality of substances; in an energy function formula for weighting each of a plurality of physical properties in the mixture and performing a calculation to optimize the performance of the mixture, collectively incorporate a plurality of the physical properties that has a relationship correlated with one characteristic among the plurality of the physical properties into the energy function formula as the one characteristic; and simplify the energy function formula.

Abstract: An optimization device includes a processor. The processor configured to, among a plurality of bits for solving a plurality of combinatorial optimization problems, assign a plurality of first bits to a first combinatorial optimization problem included in the plurality of combinatorial optimization problems and assign a plurality of second bits to a second combinatorial optimization problem included in the plurality of combinatorial optimization problems. The processor further configured to set an interaction between each of the plurality of first bits and each of the plurality of second bits to zero, and solve the plurality of combinatorial optimization problems.

Abstract: A similarity calculation device calculates a similarity between a first material and a second material and includes: a memory; and a processor configured to: create 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; search for a maximum independent set in the conflict graph by executing a ground state search using an annealing method; and compute the similarity between the first material and the second material based on the maximum independent set.

Abstract: An apparatus includes a memory and a processor coupled to the memory. The processor is configured to: determine a degree of similarity between a target material and a first material based on a structure and characteristic of each of the target material and the first material; predict a characteristic value of the target material based on a first value representing the characteristic of the first material; and output the predicted characteristic value.

Abstract: An information processing method is performed by a computer for evaluating flammability of a mixed refrigerant material containing a plurality of components. The method includes: calculating, for each of the plurality of components, a second value obtained by multiplying a mixture ratio thereof in the mixed refrigerant material by a first value obtained based on numbers of hydrogen atoms, halogen atoms, and double bonds included in a molecular structure thereof; calculating a total sum of the second value calculated for each of the plurality of components; and classifying the mixed refrigerant material into a predetermined flammability class based on the total sum.

Abstract: A nanoribbon includes a structure represented by a structural formula (8), where q, p, q, r, s, t, and u are mutually independent and are integers greater than or equal to 1, R1, R2, R3, R4, R5, R6, R7, and R8 are mutually independent and are one of a hydrogen. atom, a substituent, an alkyl moiety, a phenyl moiety, and a halogen atom, and A denotes a hydrogen atom or as aryl group.

Abstract: A Schottky barrier diode includes a graphene nanoribbon, a first electrode connected to one end of the graphene nanoribbon, and a second electrode connected to the other end of the graphene nanoribbon. The graphene nanoribbon includes a first part and a second part which are connected in the length direction of the graphene nanoribbon and which differ in electronic state. For example, edges of the first part in a length direction of the graphene nanoribbon are terminated with a first modifying group and edges of the second part in the length direction of the graphene nanoribbon are terminated with a second modifying group.

Abstract: A Schottky barrier diode includes a graphene nanoribbon, a first electrode connected to one end of the graphene nanoribbon, and a second electrode connected to the other end of the graphene nanoribbon. The graphene nanoribbon includes a first part and a second part which are connected in the length direction of the graphene nanoribbon and which differ in electronic state. For example, edges of the first part in a length direction of the graphene nanoribbon are terminated with a first modifying group and edges of the second part in the length direction of the graphene nanoribbon are terminated with a second modifying group.

Abstract: An electronic device, includes: a graphene nanoribbon having a first graphene and a second graphene; a first electrode coupled to the first graphene; and a second electrode coupled to the second graphene, wherein the first graphene is terminated on an edge by a first terminal group and has a first polarity and the second graphene is terminated on an edge by a second terminal group different to the first terminal group and has a second polarity different from the first polarity.