Information processing device, information processing method and non-transitory computer readable medium

An information processing method comprising, by a processor:

• reading information on a trained model that outputs a physical property value when information on a molecule stored in a memory is input;
• defining a molecular model representing a target molecular structure and an adsorbent model representing a structure of an adsorbent;
• performing a simulation that uses the trained model at least in part in a first model in which the molecular model is placed around the adsorbent model under arbitrary activity and temperature conditions;
• and
• acquiring an adsorption volume and adsorption structure as a result of the simulation.

A non-transitory computer readable medium storing a program causing a processor to execute an information processing method, the information processing method comprising:

• reading information on a trained model that outputs a physical property value when input of information on a molecule stored in a memory is input;
• defining a molecular model representing a target molecular structure and an adsorbent model representing a structure of an adsorbent;
• and
• performing a simulation that uses the trained model at least in part in a first model in which the molecular model is placed around the adsorbent model, under arbitrary activity and temperature conditions, and
• acquiring the adsorption volume and adsorption structure as a result of the simulation.