In recent years, groundbreaking advancements in natural language processing have culminated in the
emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a
vast array of domains, including the understanding, generation, and translation of natural language, and even
tasks that extend beyond language processing. In this report, we delve into the performance of LLMs within
the context of scientific discovery/research, focusing on GPT-4, the state-of-the-art language model. Our
investigation spans a diverse range of scientific areas encompassing drug discovery, biology, computational
chemistry (density functional theory (DFT) and molecular dynamics (MD)), materials design, and partial
differential equations (PDE).