Year |
Citation |
Score |
2022 |
Yang Y, Shao YT, Lu X, Yang Y, Ko HY, DiStasio RA, DiSalvo FJ, Muller DA, Abruña HD. Elucidating Cathodic Corrosion Mechanisms with Operando Electrochemical Transmission Electron Microscopy. Journal of the American Chemical Society. PMID 35976815 DOI: 10.1021/jacs.2c05989 |
0.575 |
|
2022 |
Yang Y, Peltier CR, Zeng R, Schimmenti R, Li Q, Huang X, Yan Z, Potsi G, Selhorst R, Lu X, Xu W, Tader M, Soudackov AV, Zhang H, Krumov M, ... ... Ko HY, et al. Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies. Chemical Reviews. PMID 35133808 DOI: 10.1021/acs.chemrev.1c00331 |
0.667 |
|
2021 |
Ko HY, Santra B, DiStasio RA. Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based Molecular Dynamics II: Extensions to the Isobaric-Isoenthalpic and Isobaric-Isothermal Ensembles. Journal of Chemical Theory and Computation. PMID 34775753 DOI: 10.1021/acs.jctc.0c01194 |
0.71 |
|
2021 |
You W, Ganley JM, Ernst BG, Peltier CR, Ko HY, DiStasio RA, Knowles RR, Coates GW. Expeditious synthesis of aromatic-free piperidinium-functionalized polyethylene as alkaline anion exchange membranes. Chemical Science. 12: 3898-3910. PMID 34163659 DOI: 10.1039/d0sc05789d |
0.362 |
|
2020 |
Calegari Andrade MF, Ko HY, Zhang L, Car R, Selloni A. Free energy of proton transfer at the water-TiO interface from deep potential molecular dynamics. Chemical Science. 11: 2335-2341. PMID 34084393 DOI: 10.1039/c9sc05116c |
0.674 |
|
2020 |
Andreani C, Romanelli G, Parmentier A, Senesi R, Kolesnikov AI, Ko HY, Calegari Andrade MF, Car R. Hydrogen Dynamics in Supercritical Water Probed by Neutron Scattering and Computer Simulations. The Journal of Physical Chemistry Letters. 9461-9467. PMID 33108193 DOI: 10.1021/acs.jpclett.0c02547 |
0.664 |
|
2020 |
Ko HY, Jia J, Santra B, Wu X, Car R, DiStasio RA. Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Molecular Dynamics I: Theory, Algorithm, and Performance. Journal of Chemical Theory and Computation. PMID 32045232 DOI: 10.1021/Acs.Jctc.9B01167 |
0.72 |
|
2020 |
Suh T, Yang Y, Zhao P, Lao KU, Ko HY, Wong J, DiStasio RA, Engstrom JR. Competitive Adsorption as a Route to Area-Selective Deposition. Acs Applied Materials & Interfaces. PMID 32043857 DOI: 10.1021/acsami.9b22065 |
0.264 |
|
2019 |
Hoja J, Ko HY, Neumann MA, Car R, DiStasio RA, Tkatchenko A. Reliable and practical computational description of molecular crystal polymorphs. Science Advances. 5: eaau3338. PMID 30746448 DOI: 10.1126/Sciadv.Aau3338 |
0.605 |
|
2018 |
Calegari Andrade MF, Ko HY, Car R, Selloni A. Structure, Polarization, and Sum Frequency Generation Spectrum of Interfacial Water on Anatase TiO. The Journal of Physical Chemistry Letters. PMID 30388372 DOI: 10.1021/Acs.Jpclett.8B03103 |
0.697 |
|
2018 |
Santra B, Ko HY, Yeh YW, Martelli F, Kaganovich I, Raitses Y, Car R. Root-growth of boron nitride nanotubes: experiments and ab initio simulations. Nanoscale. PMID 30239542 DOI: 10.1039/C8Nr06217J |
0.708 |
|
2018 |
Zheng L, Chen M, Sun Z, Ko HY, Santra B, Dhuvad P, Wu X. Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble. The Journal of Chemical Physics. 148: 164505. PMID 29716217 DOI: 10.1063/1.5023611 |
0.753 |
|
2018 |
Chen M, Zheng L, Santra B, Ko HY, DiStasio RA, Klein ML, Car R, Wu X. Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer. Nature Chemistry. PMID 29531374 DOI: 10.1038/S41557-018-0010-2 |
0.72 |
|
2017 |
Chen M, Ko HY, Remsing RC, Calegari Andrade MF, Santra B, Sun Z, Selloni A, Car R, Klein ML, Perdew JP, Wu X. Ab initio theory and modeling of water. Proceedings of the National Academy of Sciences of the United States of America. PMID 28973868 DOI: 10.1073/Pnas.1712499114 |
0.74 |
|
2016 |
Reilly AM, Cooper RI, Adjiman CS, Bhattacharya S, Boese AD, Brandenburg JG, Bygrave PJ, Bylsma R, Campbell JE, Car R, Case DH, Chadha R, Cole JC, Cosburn K, Cuppen HM, ... ... Ko HY, et al. Report on the sixth blind test of organic crystal structure prediction methods. Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials. 72: 439-59. PMID 27484368 DOI: 10.1107/S2052520616007447 |
0.614 |
|
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