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Hsin-Yu Ko

Title: Assistant Professor

Department: Chemistry

College: College of Science

Curriculum Vitae

Curriculum Vitae Link

Education

  • PhD, Princeton University, 2019
    Major: Chemistry
    Dissertation: First-Principles Study on the Structural and Thermal Properties of Molecular Crystals and Liquids.
  • MA, Princeton University, 2014
    Major: Chemistry

Current Scheduled Teaching

CHEM 3520.001Physical Chemistry IISpring 2025
CHEM 3520.211Physical Chemistry IISpring 2025
CHEM 2900.764Introduction to Chemical ResearchFall 2024
Texas Education Code 51.974 (HB 2504) requires each institution of higher education to make available to the public, a syllabus for undergraduate lecture courses offered for credit by the institution.

Previous Scheduled Teaching

No previous courses scheduled.

Texas Education Code 51.974 (HB 2504) requires each institution of higher education to make available to the public, a syllabus for undergraduate lecture courses offered for credit by the institution.

Published Intellectual Contributions

    Journal Article

  • You, W., Ganley, J.M., Ernst, B.G., Peltier, C.R., Ko, H., DiStasio, R.A., Knowles, R.R., Coates, G.W. Expeditious synthesis of aromatic-free piperidinium-functionalized polyethylene as alkaline anion exchange membranes. Chemical Science. 12 (11) 3898-3910. Royal Society of Chemistry (RSC). http://dx.doi.org/10.1039/d0sc05789d
  • Calegari Andrade, M.F., Ko, H., Zhang, L., Car, R., Selloni, A. Free energy of proton transfer at the water–TiO2 interface from ab initio deep potential molecular dynamics. Chemical Science. 11 (9) 2335-2341. Royal Society of Chemistry (RSC). http://dx.doi.org/10.1039/c9sc05116c
  • Martelli, F., Ko, H., Oğuz, E.C., Car, R. Local-order metric for condensed-phase environments. Physical Review B. 97 (6) American Physical Society (APS). http://dx.doi.org/10.1103/physrevb.97.064105
  • Tang, F., Jiang, X., Ko, H., Xu, J., Topsakal, M., Hao, G., N'Diaye, A.T., Dowben, P.A., Lu, D., Xu, X., Wu, X. Probing ferroelectricity by x-ray absorption spectroscopy in molecular crystals. Other. 4 (3) American Physical Society (APS). http://dx.doi.org/10.1103/physrevmaterials.4.034401
  • Santra, B., Ko, H., Yeh, Y., Martelli, F., Kaganovich, I., Raitses, Y., Car, R. Root-growth of boron nitride nanotubes: experiments and ab initio simulations. Nanoscale. 10 (47) 22223-22230. Royal Society of Chemistry (RSC). http://dx.doi.org/10.1039/c8nr06217j
  • Ko, H., DiStasio, R.A., Santra, B., Car, R. Thermal expansion in dispersion-bound molecular crystals. Other. 2 (5) American Physical Society (APS). http://dx.doi.org/10.1103/physrevmaterials.2.055603
  • Ko, H., Calegari Andrade, M.F., Sparrow, Z.M., Zhang, J., DiStasio, R.A. (2023). High-Throughput Condensed-Phase Hybrid Density Functional Theory for Large-Scale Finite-Gap Systems: The SeA Approach. Journal of Chemical Theory and Computation. 19 (13) 4182-4201. American Chemical Society (ACS). http://dx.doi.org/10.1021/acs.jctc.2c00827
  • Yang, Y., Shao, Y., Lu, X., Yang, Y., Ko, H., DiStasio, R.A., DiSalvo, F.J., Muller, D.A., Abruña, H.D. (2022). Elucidating Cathodic Corrosion Mechanisms with Operando Electrochemical Transmission Electron Microscopy. Journal of the American Chemical Society. 144 (34) 15698-15708. American Chemical Society (ACS). http://dx.doi.org/10.1021/jacs.2c05989
  • Yang, Y., Peltier, C.R., Zeng, R., Schimmenti, R., Li, Q., Huang, X., Yan, Z., Potsi, G., Selhorst, R., Lu, X., Xu, W., Tader, M., Soudackov, A.V., Zhang, H., Krumov, M., Murray, E., Xu, P., Hitt, J., Xu, L., Ko, H., Ernst, B.G., Bundschu, C., Luo, A., Markovich, D., Hu, M., He, C., Wang, H., Fang, J., DiStasio, R.A., Kourkoutis, L.F., Singer, A., Noonan, K.J., Xiao, L., Zhuang, L., Pivovar, B.S., Zelenay, P., Herrero, E., Feliu, J.M., Suntivich, J., Giannelis, E.P., Hammes-Schiffer, S., Arias, T., Mavrikakis, M., Mallouk, T.E., Brock, J.D., Muller, D.A., DiSalvo, F.J., Coates, G.W., Abruña, H.D. (2022). Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies. Chemical Reviews. 122 (6) 6117-6321. American Chemical Society (ACS). http://dx.doi.org/10.1021/acs.chemrev.1c00331
  • Ko, H., Santra, B., DiStasio, R.A. (2021). Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based Ab Initio Molecular Dynamics II: Extensions to the Isobaric–Isoenthalpic and Isobaric–Isothermal Ensembles. Journal of Chemical Theory and Computation. 17 (12) 7789-7813. American Chemical Society (ACS). http://dx.doi.org/10.1021/acs.jctc.0c01194
  • Andreani, C., Romanelli, G., Parmentier, A., Senesi, R., Kolesnikov, A.I., Ko, H., Calegari Andrade, M.F., Car, R. (2020). Hydrogen Dynamics in Supercritical Water Probed by Neutron Scattering and Computer Simulations. The Journal of Physical Chemistry Letters. 11 (21) 9461-9467. American Chemical Society (ACS). http://dx.doi.org/10.1021/acs.jpclett.0c02547
  • Ko, H., Jia, J., Santra, B., Wu, X., Car, R., DiStasio, Jr, R.A. (2020). Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance.. Journal of Chemical Theory and Computation. 16 (6) 3757-3785.
  • Suh, T., Yang, Y., Zhao, P., Lao, K.U., Ko, H., Wong, J., DiStasio, Jr, R.A., Engstrom, J.R. (2020). Competitive Adsorption as a Route to Area-Selective Deposition.. ACS Applied Materials & Interfaces. 12 (8) 9989-9999.
  • Ko, H., Zhang, L., Santra, B., Wang, H., E, W., DiStasio Jr, R.A., Car, R. (2019). Isotope effects in liquid water via deep potential molecular dynamics. Molecular Physics. 117 (22) 3269-3281. Informa UK Limited. http://dx.doi.org/10.1080/00268976.2019.1652366
  • Hoja, J., Ko, H., Neumann, M.A., Car, R., DiStasio, R.A., Tkatchenko, A. (2019). Reliable and practical computational description of molecular crystal polymorphs. Science Advances. 5 (1) American Association for the Advancement of Science (AAAS). http://dx.doi.org/10.1126/sciadv.aau3338
  • Calegari Andrade, M.F., Ko, H., Car, R., Selloni, A. (2018). Structure, Polarization, and Sum Frequency Generation Spectrum of Interfacial Water on Anatase TiO2. The Journal of Physical Chemistry Letters. 9 (23) 6716-6721. American Chemical Society (ACS). http://dx.doi.org/10.1021/acs.jpclett.8b03103
  • Zheng, L., Chen, M., Sun, Z., Ko, H., Santra, B., Dhuvad, P., Wu, X. (2018). 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 (16) AIP Publishing. http://dx.doi.org/10.1063/1.5023611
  • Chen, M., Zheng, L., Santra, B., Ko, H., DiStasio, Jr, R.A., Klein, M.L., Car, R., Wu, X. (2018). Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer.. Other. 10 (4) 413-419.
  • Martelli, F., Ko, H., Borallo, C.C., Franzese, G. (2018). Structural properties of water confined by phospholipid membranes. Other. 13 (1) Springer Science and Business Media LLC. http://dx.doi.org/10.1007/s11467-017-0704-8
  • Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Buongiorno Nardelli, M., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Cococcioni, M., Colonna, N., Carnimeo, I., Dal Corso, A., de Gironcoli, S., Delugas, P., DiStasio, Jr, R.A., Ferretti, A., Floris, A., Fratesi, G., Fugallo, G., Gebauer, R., Gerstmann, U., Giustino, F., Gorni, T., Jia, J., Kawamura, M., Ko, H., Kokalj, A., Küçükbenli, E., Lazzeri, M., Marsili, M., Marzari, N., Mauri, F., Nguyen, N.L., Nguyen, H.V., Otero-de-la-Roza, A., Paulatto, L., Poncé, S., Rocca, D., Sabatini, R., Santra, B., Schlipf, M., Seitsonen, A.P., Smogunov, A., Timrov, I., Thonhauser, T., Umari, P., Vast, N., Wu, X., Baroni, S. (2017). Advanced capabilities for materials modelling with Quantum ESPRESSO.. Other. 29 (46) 465901.
  • Chen, M., Ko, H., Remsing, R.C., Calegari Andrade, M.F., Santra, B., Sun, Z., Selloni, A., Car, R., Klein, M.L., Perdew, J.P., Wu, X. (2017). Ab initio theory and modeling of water.. Proceedings of the National Academy of Sciences of the United States of America. 114 (41) 10846-10851.
  • Reilly, A.M., Cooper, R.I., Adjiman, C.S., Bhattacharya, S., Boese, A.D., Brandenburg, J.G., Bygrave, P.J., Bylsma, R., Campbell, J.E., Car, R., Case, D.H., Chadha, R., Cole, J.C., Cosburn, K., Cuppen, H.M., Curtis, F., Day, G.M., DiStasio Jr, R.A., Dzyabchenko, A., van Eijck, B.P., Elking, D.M., van den Ende, J.A., Facelli, J.C., Ferraro, M.B., Fusti-Molnar, L., Gatsiou, C., Gee, T.S., de Gelder, R., Ghiringhelli, L.M., Goto, H., Grimme, S., Guo, R., Hofmann, D.W., Hoja, J., Hylton, R.K., Iuzzolino, L., Jankiewicz, W., de Jong, D.T., Kendrick, J., de Klerk, N.J., Ko, H., Kuleshova, L.N., Li, X., Lohani, S., Leusen, F.J., Lund, A.M., Lv, J., Ma, Y., Marom, N., Masunov, A.E., McCabe, P., McMahon, D.P., Meekes, H., Metz, M.P., Misquitta, A.J., Mohamed, S., Monserrat, B., Needs, R.J., Neumann, M.A., Nyman, J., Obata, S., Oberhofer, H., Oganov, A.R., Orendt, A.M., Pagola, G.I., Pantelides, C.C., Pickard, C.J., Podeszwa, R., Price, L.S., Price, S.L., Pulido, A., Read, M.G., Reuter, K., Schneider, E., Schober, C., Shields, G.P., Singh, P., Sugden, I.J., Szalewicz, K., Taylor, C.R., Tkatchenko, A., Tuckerman, M.E., Vacarro, F., Vasileiadis, M., Vazquez-Mayagoitia, A., Vogt, L., Wang, Y., Watson, R.E., de Wijs, G.A., Yang, J., Zhu, Q., Groom, C.R. (2016). Report on the sixth blind test of organic crystal structure prediction methods. Other. 72 (4) 439-459. International Union of Crystallography (IUCr). http://dx.doi.org/10.1107/s2052520616007447
  • Shen, Y., Ko, H., Ai, Q., Peng, S., Jin, B. (2014). Molecular Split-Ring Resonators Based on Metal String Complexes. The Journal of Physical Chemistry C. 118 (7) 3766-3773. American Chemical Society (ACS). http://dx.doi.org/10.1021/jp410619d
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Overall
Summative Rating		 Challenge and
Engagement Index		 Response Rate

out of 5
out of 7		 %
of
students responded
  • Overall Summative Rating (median):
    This rating represents the combined responses of students to the four global summative items and is presented to provide an overall index of the class’s quality. Overall summative statements include the following (response options include a Likert scale ranging from 5 = Excellent, 3 = Good, and 1= Very poor):
    • The course as a whole was
    • The course content was
    • The instructor’s contribution to the course was
    • The instructor’s effectiveness in teaching the subject matter was
  • Challenge and Engagement Index:
    This rating combines student responses to several SPOT items relating to how academically challenging students found the course to be and how engaged they were. Challenge and Engagement Index items include the following (response options include a Likert scale ranging from 7 = Much higher, 4 = Average, and 1 = Much lower):
    • Do you expect your grade in this course to be
    • The intellectual challenge presented was
    • The amount of effort you put into this course was
    • The amount of effort to succeed in this course was
    • Your involvement in course (doing assignments, attending classes, etc.) was
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