Browsing by Author Ko, Hsin-Yu
Showing results 1 to 10 of 10
| Publication Date | Article Title | Author(s) |
|---|---|---|
| 10-Oct-2017 | Ab initio theory and modeling of water | Chen, Mohan; Ko, Hsin-Yu; Remsing, Richard C.; Calegari Andrade, Marcos F.; Santra, Biswajit; et al |
| 11-Feb-2020 | Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance | Ko, Hsin-Yu; Jia, Junteng; Santra, Biswajit; Wu, Xifan; Car, Roberto; et al |
| 28-Jan-2020 | Free energy of proton transfer at the water–TiO2 interface from ab initio deep potential molecular dynamics | Calegari Andrade, Marcos F; Ko, Hsin-Yu; Zhang, Linfeng; Car, Roberto; Selloni, Annabella |
| 27-Oct-2020 | Hydrogen Dynamics in Supercritical Water Probed by Neutron Scattering and Computer Simulations | Andreani, Carla; Romanelli, Giovanni; Parmentier, Alexandra; Senesi, Roberto; Kolesnikov, Alexander I; et al |
| 15-Oct-2019 | Isotope effects in liquid water via deep potential molecular dynamics | Ko, Hsin-Yu; Zhang, Linfeng; Santra, Biswajit; Wang, Han; E, Weinan; et al |
| 12-Feb-2018 | Local-order metric for condensed-phase environments | Martelli, Fausto; Ko, Hsin-Yu; Oğuz, Erdal C; Car, Roberto |
| 11-Jan-2019 | Reliable and practical computational description of molecular crystal polymorphs | Hoja, Johannes; Ko, Hsin-Yu; Neumann, Marcus; Car, Roberto; DiStasio, Robert; et al |
| 1-Aug-2016 | Report on the sixth blind test of organic crystal structure prediction methods | Reilly, Anthony M.; Cooper, Richard I.; Adjiman, Claire S.; Bhattacharya, Saswata; Boese, A. Daniel; et al |
| 28-Aug-2018 | Root-growth of boron nitride nanotubes: experiments and ab initio simulations | Santra, Biswajit; Ko, Hsin-Yu; Yeh, Yao-Wen; Martelli, Fausto; Kaganovich, Igor; et al |
| 18-May-2018 | Thermal expansion in dispersion-bound molecular crystals | Ko, Hsin-Yu; DiStasio, Robert A; Santra, Biswajit; Car, Roberto |