Chien Pin Chou

次席研究員(研究院講師)

  • 243 Citations
  • 9 h-Index
20072019
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Research Output 2007 2019

  • 243 Citations
  • 9 h-Index
  • 20 Article
  • 1 Chapter
  • 1 Conference contribution
  • 1 Letter
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Article
2019
2 Citations (Scopus)

Reversible Sodium Metal Electrodes: Is Fluorine an Essential Interphasial Component?

Doi, K., Yamada, Y., Okoshi, M., Ono, J., Chou, C. P., Nakai, H. & Yamada, A., 2019 Jan 1, In : Angewandte Chemie - International Edition.

Research output: Contribution to journalArticle

Open Access
Fluorine
Metals
Sodium
Electrodes
Electrolytes

Sodium- and Potassium-Hydrate Melts Containing Asymmetric Imide Anions for High-Voltage Aqueous Batteries

Zheng, Q., Miura, S., Miyazaki, K., Ko, S., Watanabe, E., Okoshi, M., Chou, C. P., Nishimura, Y., Nakai, H., Kamiya, T., Honda, T., Akikusa, J., Yamada, Y. & Yamada, A., 2019 Jan 1, (Accepted/In press) In : Angewandte Chemie - International Edition.

Research output: Contribution to journalArticle

Imides
Hydrates
Anions
Potassium
Negative ions
2018
4 Citations (Scopus)
Ice
Molecular dynamics
Protons
ice
molecular dynamics

Development of Divide-and-Conquer Density-Functional Tight-Binding Method for Theoretical Research on Li-ion Battery

Chou, C. P., Sakti, A. W., Nishimura, Y. & Nakai, H., 2018 Jan 1, (Accepted/In press) In : Chemical Record.

Research output: Contribution to journalArticle

Ions
Research
Molecular Dynamics Simulation
Parameterization
Computational efficiency
9 Citations (Scopus)

Theoretical Analysis of Carrier Ion Diffusion in Superconcentrated Electrolyte Solutions for Sodium-Ion Batteries

Okoshi, M., Chou, C. P. & Nakai, H., 2018 Mar 8, In : Journal of Physical Chemistry B. 122, 9, p. 2600-2609 10 p.

Research output: Contribution to journalArticle

Electrolytes
electric batteries
Sodium
sodium
electrolytes
3 Citations (Scopus)

When finite becomes infinite: convergence properties of vibrational spectra of oligomer chains

Chou, C. P., Witek, H. & Irle, S., 2018 Oct 1, In : Journal of Molecular Modeling. 24, 10, 288.

Research output: Contribution to journalArticle

Vibrational spectra
Polyacetylenes
oligomers
Oligomers
vibrational spectra
2017
5 Citations (Scopus)

Zhang-Zhang polynomials of regular 5-tier benzenoid strips

Witek, H. A., Langner, J., Moś, G. & Chou, C. P., 2017, In : Match. 78, 2, p. 487-504 18 p.

Research output: Contribution to journalArticle

Strip
Polynomials
Polynomial
Closed-form
Covering
2016
21 Citations (Scopus)

Automatized Parameterization of DFTB Using Particle Swarm Optimization

Chou, C. P., Nishimura, Y., Fan, C. C., Mazur, G., Irle, S. & Witek, H. A., 2016 Jan 12, In : Journal of Chemical Theory and Computation. 12, 1, p. 53-64 12 p.

Research output: Contribution to journalArticle

Parameterization
parameterization
Particle swarm optimization (PSO)
optimization
methodology
7 Citations (Scopus)

Automatized Parameterization of the Density-functional Tight-binding Method. II. Two-center Integrals

Witek, H. A., Chou, C. P., Mazur, G., Nishimura, Y., Irle, S., Aradi, B., Frauenheim, T. & Morokuma, K., 2016 Jan 1, In : Journal of the Chinese Chemical Society. 63, 1, p. 57-68 12 p.

Research output: Contribution to journalArticle

Parameterization
Discrete Fourier transforms
Band structure
2015
6 Citations (Scopus)

Two examples for the application of the ZZDecomposer: Zigzag-edge coronoids and fenestrenes

Chou, C. P. & Witek, H. A., 2015, In : Match. 73, 2, p. 421-426 6 p.

Research output: Contribution to journalArticle

Zigzag
Figure
Polynomials
Polynomial
Class
6 Citations (Scopus)

Zhang-Zhang polynomials of regular 3- and 4-tier benzenoid strips

Witek, H. A., Mos̈, G. & Chou, C. P., 2015, In : Match. 73, 2, p. 427-442 16 p.

Research output: Contribution to journalArticle

Strip
Polynomials
Polynomial
Closed-form
Partition
2014
17 Citations (Scopus)

Closed-form formulas for the Zhang-Zhang polynomials of benzenoid structures: Chevrons and generalized chevrons

Chou, C. P. & Witek, H. A., 2014, In : Match. 72, 1, p. 105-124 20 p.

Research output: Contribution to journalArticle

Closed-form
Polynomials
Polynomial
Parallelogram
Fragment
7 Citations (Scopus)

Closed-form formulas for the Zhang-Zhang polynomials of benzenoid structures: Prolate rectangles and their generalizations

Chou, C. P., Kang, J. S. & Witek, H. A., 2014 Sep 18, (Accepted/In press) In : Discrete Applied Mathematics.

Research output: Contribution to journalArticle

Rectangle
Closed-form
Polynomials
Polynomial
Parallelogram
14 Citations (Scopus)

Determination of Zhang-Zhang polynomials for various classes of benzenoid systems: Non-heuristic approach

Chou, C. P. & Witek, H. A., 2014, In : Match. 72, 1, p. 75-104 30 p.

Research output: Contribution to journalArticle

Zigzag
Polynomials
Polynomial
Tripod
Graph Decomposition
14 Citations (Scopus)

ZZDecomposer: A graphical toolkit for analyzing the zhang-zhang polynomials of benzenoid structures

Chou, C. P. & Witek, H. A., 2014, In : Match. 71, 3, p. 741-764 24 p.

Research output: Contribution to journalArticle

Formal Proof
Polynomials
Decomposition
Polynomial
Linux
2013
34 Citations (Scopus)

Quantum chemical investigation of epoxide and ether groups in graphene oxide and their vibrational spectra

Page, A. J., Chou, C. P., Pham, B. Q., Witek, H. A., Irle, S. & Morokuma, K., 2013 Mar 21, In : Physical Chemistry Chemical Physics. 15, 11, p. 3725-3735 11 p.

Research output: Contribution to journalArticle

Graphite
epoxy compounds
Epoxy Compounds
Vibrational spectra
Ether
2012
19 Citations (Scopus)

An algorithm and FORTRAN program for automatic computation of the Zhang-Zhang polynomial of Benzenoids

Chou, C. P. & Witek, H. A., 2012, In : Match. 68, 1, p. 3-30 28 p.

Research output: Contribution to journalArticle

D.3.2 [Programming Languages]: Language Classifications - Fortran
FORTRAN (programming language)
Polynomials
Polynomial
Atoms
18 Citations (Scopus)

Zhang-Zhang polynomials of various classes of benzenoid systems

Chou, C. P., Li, Y. & Witek, H. A., 2012, In : Match. 68, 1, p. 31-64 34 p.

Research output: Contribution to journalArticle

Polynomials
Polynomial
Closed-form
Phosmet
Structural Similarity
2009
45 Citations (Scopus)

Automatized parametrization of SCC-DFTB repulsive potentials: Application to hydrocarbons

Gaus, M., Chou, C. P., Witek, H. & Elstner, M., 2009 Oct 29, In : Journal of Physical Chemistry A. 113, 43, p. 11866-11881 16 p.

Research output: Contribution to journalArticle

Hydrocarbons
Charge density
hydrocarbons
heat of formation
Vibrational spectra
2007
Rate constants
Parallel processing systems
Molecular structure
Gases
Costs