Si-Da Huang
Overview
Explore the profile of Si-Da Huang including associated specialties, affiliations and a list of published articles.
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Articles
4
Citations
49
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0
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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.
Material discovery by combining stochastic surface walking global optimization with a neural network
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...