当前位置: X-MOL 学术Faraday Discuss. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Crystal structure prediction: reflections on present status and challenges
Faraday Discussions ( IF 3.4 ) Pub Date : 2018-10-11 , DOI: 10.1039/c8fd90033g
Artem R. Oganov 1, 2, 3, 4, 5
Affiliation  

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.

中文翻译:

晶体结构预测:对现状和挑战的反思

长期以来人们一直认为不可能实现的晶体结构预测(CSP)是一个蓬勃发展的领域,它在计算材料发现,药物设计,高压化学以及地球和行星内部矿物学等领域具有许多重要发现。但是,主要挑战仍然存在,需要进行更多的研究。在这些总结中,我尝试总结我个人对CSP领域所取得的巨大进步以及使该领域比以往任何时候都令人兴奋的开放问题和挑战的个人看法。
更新日期:2018-10-26
down
wechat
bug