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12 results on '"Hsin‐Yu Ko"'

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1. Isotope effects in liquid water via deep potential molecular dynamics

2. Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based $Ab$ $Initio$ Molecular Dynamics II: Extensions to the Isobaric-Isoenthalpic and Isobaric-Isothermal Ensembles

3. Probe Ferroelectricity by X-ray Absorption Spectroscopy in Molecular Crystal

4. Thermal expansion in dispersion-bound molecular crystals

5. Local-order metric for condensed-phase environments

6. Structural, Electronic, and Dynamical Properties of Liquid Water by ab initio Molecular Dynamics based on SCAN Functional within the Canonical Ensemble

7. Root-Growth of Boron Nitride Nanotubes: Experiments and \textit{Ab Initio} Simulations

8. Reliable and Practical Computational Prediction of Molecular Crystal Polymorphs

9. Advanced capabilities for materials modelling with Quantum ESPRESSO

10. Ab initio theory and modeling of water

11. Structural properties of water confined by phospholipid membranes

12. Molecular Split-Ring Resonators Based on Metal String Complexes

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