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2020-07-12
相关数据集
Predicting Structural Properties of Pure Silica Zeolites Using Deep Neural Network Potentials
Machine learning potentials (MLPs) capable of accurately describing complex ab initio potential energy surfaces (PESs) have revolutionized the field of multiscale atomistic modeling. In this work, usi
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Materials Data on Mg2Zn by Materials Project
Mg2Zn crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mg2Zn sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the
DataCite Commons2021-02-04 更新100
Missing Metallofullerene with C 80 Cage
Many insoluble metallofullerenes are called missing metallofullerenes. These metallofullerenes have not yet been isolated despite their detection in raw soot using mass spectrometry. They have been an
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