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Si-Da Huang

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Articles 4
Citations 49
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Recent Articles
1.
Huang S, Shang C, Liu Z
J Chem Phys . 2019 Nov; 151(17):174702. PMID: 31703502
The atomistic simulation of supported metal catalysts has long been challenging due to the increased complexity of dual components. In order to determine the metal/support interface, efficient theoretical tools to...
2.
Huang S, Shang C, Kang P, Liu Z
Chem Sci . 2019 Jan; 9(46):8644-8655. PMID: 30627388
Boron crystals, despite their simple composition, must rank top for complexity: even the atomic structure of the ground state of β-B remains uncertain after 60 years' study. This makes it...
3.
Shang C, Huang S, Liu Z
J Comput Chem . 2018 Nov; 40(10):1091-1096. PMID: 30414217
The potential energy surface (PES) calculation is the bottleneck for modern material simulation. The high-dimensional neural network (HDNN) technique emerged recently appears to be a problem solver for fast and...
4.
Huang S, Shang C, Zhang X, Liu Z
Chem Sci . 2018 Jan; 8(9):6327-6337. PMID: 29308174
While the underlying potential energy surface (PES) determines the structure and other properties of a material, it has been frustrating to predict new materials from theory even with the advent...