Oganov Artem R
Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, 3 Nobel St., Moscow 143026, Russia.
Faraday Discuss. 2018 Oct 26;211(0):643-660. doi: 10.1039/c8fd90033g.
Long thought to be impossible, crystal structure prediction (CSP) is a thriving field today, with many important discoveries in fields as diverse as computational materials discovery, drug design, high-pressure chemistry and mineralogy of the Earth's and planetary interiors. However, major challenges remain, warranting more research. In these Concluding Remarks, I try to summarize my personal view of the enormous progress made in the field of CSP and the open questions and challenges that keep this field more exciting than ever.
长期以来被认为是不可能的晶体结构预测(CSP)如今已成为一个蓬勃发展的领域,在计算材料发现、药物设计、高压化学以及地球和行星内部矿物学等诸多不同领域都有许多重要发现。然而,重大挑战依然存在,需要更多研究。在这些结束语中,我试图总结我个人对CSP领域所取得的巨大进展以及使该领域比以往任何时候都更具吸引力的开放性问题和挑战的看法。