ChatGPT in the Material Design: Selected Case Studies to Assess the Potential of ChatGPT

Abstract

The pursuit of designing smart and functional materials is of paramount importance across various domains, such as material science, engineering, chemical technology, electronics, biomedicine, energy, and numerous others. Consequently, researchers are actively involved in the development of innovative models and strategies for material design. Recent advancements in analytical tools, experimentation, and computer technology additionally enhance the material design possibilities. Notably, data-driven techniques like artificial intelligence and machine learning have achieved substantial progress in exploring various applications within material science. One such approach, ChatGPT, a large language model, holds transformative potential for addressing complex queries. In this article, we explore ChatGPT's understanding of material science by assigning some simple tasks across various subareas of computational material science. The findings indicate that while ChatGPT may make some minor errors in accomplishing general tasks, it demonstrates the capability to learn and adapt through human interactions. However, issues like output consistency, probable hidden errors, and ethical consequences should be addressed.

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