Publications by authors named "Chien-Pin Chou"

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Development of Density-Functional Tight-Binding Parameters for the Molecular Dynamics Simulation of Zirconia, Yttria, and Yttria-Stabilized Zirconia.
Aulia Sukma Hutama, Lala Adetia Marlina, Chien-Pin Chou, Stephan Irle, Thomas S Hofer

ACS Omega· August 2021

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Density-Functional Tight-Binding Parameters for Bulk Zirconium: A Case Study for Repulsive Potentials.
Aulia Sukma Hutama, Chien-Pin Chou, Yoshifumi Nishimura, Henryk A Witek, Stephan Irle

J Phys Chem A· March 2021

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Density-Functional Tight-Binding Study of Carbonaceous Species Diffusion on the (100)-γ-AlO Surface.
Aditya W Sakti, Chien-Pin Chou, Hiromi Nakai

ACS Omega· March 2020

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Confined water-mediated high proton conduction in hydrophobic channel of a synthetic nanotube.
Ken-Ichi Otake, Kazuya Otsubo, Tokutaro Komatsu, Shun Dekura, Jared M Taylor, Chien-Pin Chou

Nat Commun· February 2020

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Quantum mechanical molecular dynamics simulations of polaron formation in methylammonium lead iodide perovskite.
Hiroki Uratani, Chien-Pin Chou, Hiromi Nakai

Phys Chem Chem Phys· December 2019

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Sodium- and Potassium-Hydrate Melts Containing Asymmetric Imide Anions for High-Voltage Aqueous Batteries.
Qifeng Zheng, Shota Miura, Kasumi Miyazaki, Seongjae Ko, Eriko Watanabe, Chien-Pin Chou

Angew Chem Int Ed Engl· October 2019

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Reversible Sodium Metal Electrodes: Is Fluorine an Essential Interphasial Component?
Kyosuke Doi, Yuki Yamada, Masaki Okoshi, Junichi Ono, Chien-Pin Chou

Angew Chem Int Ed Engl· June 2019

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Development of Divide-and-Conquer Density-Functional Tight-Binding Method for Theoretical Research on Li-Ion Battery.
Chien-Pin Chou, Aditya Wibawa Sakti, Yoshifumi Nishimura, Hiromi Nakai

Chem Rec· April 2019

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When finite becomes infinite: convergence properties of vibrational spectra of oligomer chains.
Chien-Pin Chou, Henryk Witek, Stephan Irle

J Mol Model· September 2018

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Theoretical Analysis of Carrier Ion Diffusion in Superconcentrated Electrolyte Solutions for Sodium-Ion Batteries.
Masaki Okoshi, Chien-Pin Chou, Hiromi Nakai

J Phys Chem B· March 2018

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Density-Functional Tight-Binding Molecular Dynamics Simulations of Excess Proton Diffusion in Ice I, Ice I, Ice III, and Melted Ice VI Phases.
Aditya Wibawa Sakti, Yoshifumi Nishimura, Chien-Pin Chou, Hiromi Nakai

J Phys Chem A· January 2018

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Automatized Parameterization of DFTB Using Particle Swarm Optimization.
Chien-Pin Chou, Yoshifumi Nishimura, Chin-Chai Fan, Grzegorz Mazur, Stephan Irle

J Chem Theory Comput· January 2016

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Quantum chemical investigation of epoxide and ether groups in graphene oxide and their vibrational spectra.
Alister J Page, Chien-Pin Chou, Buu Q Pham, Henryk A Witek, Stephan Irle

Phys Chem Chem Phys· March 2013

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Automatized parametrization of SCC-DFTB repulsive potentials: application to hydrocarbons.
Michael Gaus, Chien-Pin Chou, Henryk Witek, Marcus Elstner

J Phys Chem A· October 2009

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