Toward the Uniform of Chemical Theory, Simulation, and Experiments in Metaverse Technology

Abstract

In recent years, with the continuous development of artificial intelligence (AI) technology, the digital process in chemistry has also changed with each passing day. However, the current digitalization of chemistry mainly uses AI technology to assist some scientific research related to computational chemistry, such as molecular design, catalyst design, reaction route design, etc. There is still no clear digital route to connect with experimental chemistry; digitization in experimental and theoretical chemistry is still in its infancy. This work sorts out some of the main references and logic of the digitalization of experimental chemistry. It puts forward a central point: in a truly digital world, there is no boundary between chemical experiments, theory, and calculation. The Mateverse platform based on Metaverse technology makes all of this possible, primarily through a digital process assisted by human researchers, which will significantly change the research paradigm of chemistry. Metaverse is a technology that should not be ignored for the future development of chemistry, which is impelled by the merged data from experiments, simulations, and theory.