劉凱昕 (Liou, Kai-Hsin)

PhD candidate of Chemical Engineering
The University of Texas at Austin, USA
lioukaihsin@utexas.edu
Curriculum Vitae

research interests

publications

  1. Dielectric Screening and Vacancy Formation for Large Neutral and Charged SinHm (n>1500) nanocrystals using real-space pseudopotentials
    abstract
    Physical Review Materials 6 (5), 054603 (2022)
    with Timothy Liao and James R. Chelikowsky

  2. Space-Filling Curves for Real-Space Electronic Structure Calculations
    abstract
    Journal of Chemical Theory and Computation 17, 4039-4048 (2021)
    with Ariel Biller and Leeor Kronik and James R. Chelikowsky

  3. Scalable Implementation of Polynomial Filtering for Density Functional Theory Calculation in PARSEC
    abstract preprint
    Computer Physics Communications 254, 107330 (2020)
    with Chao Yang and James R. Chelikowsky

  4. Investigation of the Water Adsorption Properties and Structural Stability of MIL-100(Fe) with Different Anions
    abstract
    Langmuir 34 (14), pp.4180–4187 (2018)
    with Yen-Ru Chen, Dun-Yen Kang, Jiun-Jen Chen, and Li-Chiang Lin

  5. Investigating the Potential of Single-Walled Aluminosilicate Nanotubes in Water Desalination
    abstract cover
    ChemPhysChem 18 (2), pp.179–183 (2017)
    with Dun-Yen Kang and Li-Chiang Lin

  6. Defective Single-Walled Aluminosilicate Nanotubes: Structural Stability and Mechanical Properties
    abstract cover
    ChemNanoMat 2 (3), pp.189–195 (2016)
    with Dun-Yen Kang

  7. Investigating Friction as a Main Source of Entropy Generation in the Expansion of Confined Gas in a Piston-and-Cylinder Device
    abstract
    Journal of Chemical Education 92 (10), pp.1667–1671 (2015)
    with Dun-Yen Kang and Wei-Lun Chang

  8. Relationships among the Structural Topology, Bond Strength, and Mechanical Properties of Single-Walled Aluminosilicate Nanotubes
    abstract cover
    Nanoscale 7 (39), pp.16222–16229 (2015)
    with Nien-Ti Tsou and Dun-Yen Kang

software


PARSEC solves electronic structures of materials based on real-space pseudopotential Kohn–Sham density functional theory. The output from PARSEC can be used as the input of NanoGW for excited-state property calculations. See the official webite http://real-space.org for more details.

archive