Directly manipulating the atomic structure to achieve a specific property is long pursuit in field of materials. However, hindered by disordered, non-prototypical glass and complex interplay between property, such inverse design dauntingly hard for glasses. Here, combining two cutting-edge techniques, graph neural networks swap Monte Carlo, we develop data-driven, property-oriented route that m...

The conventional design of enclosed environments uses a trial-and-error approach that is time consuming and may not meet the design objective. Inverse design concept uses the desired enclosed environment as the design objective and inversely determines the systems required to achieve the objective. This paper discusses a number of backward and forward methods for inverse design. Backward method...