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

Area of Science:

• Digital chemistry and computational chemistry.
• Artificial intelligence (AI) applications in chemical research.

Background:

• Current digitalization in chemistry primarily supports computational tasks like molecular and catalyst design.
• Digitization in experimental and theoretical chemistry remains underdeveloped.
• A gap exists between digital tools and experimental chemistry practices.

Purpose of the Study:

• To review the logic and references for digitizing experimental chemistry.
• To propose a unified digital framework for chemistry.
• To introduce the Metaverse platform as a solution for integrating experimental and theoretical chemistry.

Main Methods:

• Review of key literature on the digitalization of experimental chemistry.
• Conceptualization of a unified digital environment for chemistry.
• Leveraging Metaverse technology for a new chemistry research paradigm.

Main Results:

• Identified a lack of digital integration between experimental and computational chemistry.
• Proposed that a truly digital chemistry eliminates boundaries between experiment, theory, and calculation.
• The Metaverse platform facilitates a human-assisted digital process, merging experimental, simulation, and theoretical data.

Conclusions:

• The Metaverse platform offers a pathway to bridge the gap between digital and experimental chemistry.
• Merging data from experiments, simulations, and theory is crucial for future chemical research.
• Metaverse technology is poised to revolutionize the chemistry research paradigm.