502 citations · 1.4k across the 18 of their papers we have counts for
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Isotope Effects in Liquid Water via Deep Potential Molecular Dynamics
Hsin-Yu Ko, Linfeng Zhang, Biswajit Santra +4
A comprehensive microscopic understanding of ambient liquid water is a major challenge for simulations as it simultaneously requires an accurate quantum mechanical de…
Reliable and Practical Computational Prediction of Molecular Crystal Polymorphs
Johannes Hoja, Hsin-Yu Ko, Marcus A. Neumann +3
The ability to reliably predict the structures and stabilities of a molecular crystal and its polymorphs without any prior experimental information would be an invaluable tool for…
Root-Growth of Boron Nitride Nanotubes: Experiments and \textit{Ab Initio} Simulations
Biswajit Santra, Hsin-Yu Ko, Yao-Wen Yeh +4
We have synthesized boron nitride nanotubes (BNNTs) in an arc in presence of boron and nitrogen species only, without transition metals. We find that BNNTs are often attached to pu…