机器学习顶刊汇总：Science、Adv. Sci.、Nano Energy、npj Comput. Mater.、ES&T等- 知乎
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npj Computational Materials
npj Computational Materials
Submitted to npj Computational Materials 1 Notice: This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05
Volker Deringer on Twitter: "Here's an overview of quality metrics - comparing the new ML potential to empirical ones, and emphasising how tricky it is to find "the best" #compchem method for
npj Computational Materials
npj Computational Materials
Computational Chemistry Methods for Nanoporous Materials | Chemistry of Materials
Npj Comput. Mater.: 电子与晶格共舞—纳米尺度激发态动力学_结构_动态_Mater
In Situ Forecasting Paper Published in npj Comp Mater — Steven R. Spurgeon, Ph.D.
AiiDA Team on Twitter: "Check out our new paper on common AiiDA workflows for materials properties via 11 different quantum codes: identical input/output format and fully automatic parameter choice! npj Comput. Mater.
West-code
Dishant Beniwal - PhD Research Scholar - Indian Institute of Technology, Ropar | LinkedIn
机器学习顶刊汇总：Science子刊、Matter、ACS Nano、npj Comput. Mater.、ACS AMI等- 知乎
Active learning for accelerated design of layered materials | npj Computational Materials
Ensemble learning-iterative training machine learning for uncertainty quantification and automated experiment in atom-resolved m
Volker Deringer on Twitter: "Silica (SiO2) is among the most abundant materials. So it seems like a good target for building an accurate #MachineLearning interatomic potential model! A short thread on our
CEST and SIN publish new paper on npj Computational Materials | Aalto University
Solving materials problems with a quantum computer
npj Computational Materials
Npj Comput. Mater.: 纳米晶三维结构重建—知识与经验| Redian新闻
