A transferable recommender approach for selecting the best density functional approximations in chemical discovery

已完结 10 由 wei 发布于 2024/11/24 19:35:14

DOI:10.1038/s43588-022-00384-0
作者：Chenru Duan, Aditya Nandy, Ralf Meyer, Naveen Arunachalam, Heather J. Kulik
文献类型：期刊论文
补充材料：只需要正文

其它数据库

Abstract：Approximate density functional theory has become indispensable owing to its balanced cost–accuracy trade-off, including in large-scale screening. To date, however, no density functional appr

应助信息

16小时前

Book学术机器人

59c86a78a96f11efb2e634735aa3bc31.pdf 已采纳

16小时前

Book学术机器人

2024/11/24 19:35:14 Book学术AI机器人已找到文献并上传

2024/11/24 19:35:14 Book学术AI机器人收到请求，开始寻找文献

2024/11/24 19:35:14 已向机器人发送请求

16小时前

wei 发布求助

上一个求助:其它数据库Naturally Fractured Carbonate Reservoir Characterization: A Case Study of a Mature High-Pour Point Oil Field in Hungary 下一个求助:ElsevierResearch on energy utilization of electron beam melting for silicon purification