Publications

On-the-Fly Kinetic Monte Carlo Simulations with Neural Network Potentials for Surface Diffusion and Reaction

The Journal of Chemical Physics, 2024.

T. Yokaichiya, T. Ikeda, K. Muraoka, A. Nakayama

Knowledge-informed generation of organic structure-directing agents for zeolites using ChatGPT towards human-machine collaborative molecular design

ChemRxiv, 2024.

S. Ito, K. Muraoka, A. Nakayama

High-pressure phase and pressure-induced phase transition of Ag3YCl6

CrystEngComm, 2024.

K. Maki, K. Muraoka, S. Kawaguchi, T. Tanimoto, A. Nakayama, S. Yokokura, T. Shimada, K. Tadanaga, A. Miura

Synthesis and Structural Analysis of High-Silica ERI Zeolite with Spatially-Biased Al Distribution as a Promising NH3-SCR Catalyst

Advanced Science, 2024.

J. Zhu, K. Muraoka, T. Ohnishi, Y. Yanaba, M. Ogura, A. Nakayama, T. Wakihara, Z. Liu, T. Okubo

Direct microwave energy input on a single cation for outstanding selective catalysis

Science Advances, 2023.

F. Kishimoto, T. Yoshioka, R. Ishibashi, H. Yamada, K. Muraoka, H. Taniguchi, T. Wakihara, K. Takanabe

DeePMD-kit v2: A software package for Deep Potential models

The Journal of Chemical Physics, 2023.

J. Zeng, D. Zhang, D. Lu, P. Mo, Z. Li, Y. Chen, M. Rynik, L. Huang, Z. Li, S. Shi, Y. Wang, H. Ye, P. Tuo, J. Yang, Y. Ding, Y. Li, D. Tisi, Q. Zeng, H. Bao, Y. Xia, J. Huang, K. Muraoka, Y. Wang, J. Chang, F. Yuan, S.L. Bore, C. Cai, Y. Lin, B. Wang, J. Xu, J.-X. Zhu, C. Luo, Y. Zhang, R.E.A. Goodall, W. Liang, A.K. Singh, S. Yao, J. Zhang, R. Wentzcovitch, J. Han, J. Liu, W. Jia, D.M. York, W. E, R. Car, L. Zhang, H. Wang

Analysis of Al Site-Directing Ability of Organic Structure-Directing Agents in FER and CHA Zeolites: A Computational Exploration of Energetic Preferences

Chemical Communications, 2023.

K. Oishi, K. Muraoka, A. Nakayama

Density Functional Theory Study of Deoxydehydration Reaction by TiO2-Supported Monomeric and Dimeric Molybdenum Oxide Catalysts

The Journal of Physical Chemistry C, 2022.

D. Asada, T. Ikeda, K. Muraoka, Y. Nakagawa, K. Tomishige, A. Nakayama

Materials informatics-guided superior electrocatalyst: A case of pyrolysis-free single-atom coordinated with N-graphene nanomesh

Nano Energy, 2022.

W. Xia, Z. Hou, J. Tang, J. Li, W. Chaikittisilp, Y. Kim, K. Muraoka, H. Zhang, J. He, B. Han, Y. Yamauchi

Multi-Objective De Novo Molecular Design of Organic Structure-Directing Agents for Zeolites Using Nature-Inspired Ant Colony Optimization

Chemical Science, 2020.

K. Muraoka, W. Chaikittisilp, T. Okubo

Linking synthesis and structure descriptors from a large collection of synthetic records of zeolite materials

Nature Communications, 2019.

K. Muraoka, Y. Sada, D. Miyazaki, W. Chaikittisilp, T. Okubo

Bridging the Gap between Structurally Distinct 2D Lamellar Zeolitic Precursors through a 3D Germanosilicate Intermediate

Angewandte Chemie International Edition, 2019.

L. Xu, M.K. Choudhary, K. Muraoka, W. Chaikittisilp, T. Wakihara, J.D. Rimer, T. Okubo

Tracking Rearrangement of Atomic Configurations During the Conversion from FAU Zeolite to CHA Zeolite

Chemical Science, 2019.

K. Muraoka, Y. Sada, A. Shimojima, W. Chaikittisilp, T. Okubo

Crucial Factors on Seed-Directed Synthesis of CON-type Aluminoborosilicate Zeolites using Tetraethylammonium

Crystal Growth & Design, 2019.

S. Sogukkanli, K. Muraoka, K. Iyoki, S.P. Elangovan, Y. Yanaba, W. Chaikittisilp, T. Wakihara, T. Okubo

実験化学, 計算機化学, データサイエンスの融合による設計的ゼオライト合成

ゼオライト, 2019.

村岡恒輝, W. Chaikittisilp, 大久保達也

Crystallization of a Novel Germanosilicate ECNU-16 Provides Insights into the Space-Filling Effect on Zeolite Crystal Symmetry

Chemistry – A European Journal, 2018.

L. Xu, L. Zhang, J. Li, K. Muraoka, F. Peng, H. Xu, C. Lin, Z. Gao, J.-G. Jiang, W. Chaikittisilp, J. Sun, T. Okubo, P. Wu

Resolving the Framework Position Organic Structure-Directing Agents in Hierarchical Zeolites via Polarized Stimulated Raman Scattering

The Journal of Physical Chemistry Letters, 2018.

G. Fleury, J. Steele, I. Gerber, F. Jolibois, P. Puech, K. Muraoka, S.H. Keoh, W. Chaikittisilp, T. Okubo, M. Roeffaers

Directing Aluminum Atoms into Energetically Favorable Tetrahedral Sites in a Zeolite Framework by Using Organic Structure‐Directing Agents

Angewandte Chemie International Edition, 2018.

K. Muraoka, Y. Yanaba, T. Yoshikawa, W. Chaikittisilp, T. Okubo

Organic‐Free Synthesis of a Highly Siliceous Faujasite Zeolite with Spatially Biased Q4(nAl) Si Speciation

Angewandte Chemie International Edition, 2017.

M.D. Oleksiak*, K. Muraoka (*: 1st author)*, M.‐F. Hsieh, M.T. Conato, A. Shimojima, T. Okubo, W. Chaikittisilp, J.D. Rimer

Factors Governing the Formation of Hierarchically and Sequentially Intergrown MFI Zeolites by Using Simple Diquaternary Ammonium Structure-Directing Agents

Chemistry of Materials, 2016.

S.H. Keoh, W. Chaikittisilp, K. Muraoka, R.R. Mukti, A. Shimojima, P. Kumar, M. Tsapatsis, T. Okubo

Energy Analysis of Aluminosilicate Zeolites with Comprehensive Ranges of Framework Topologies, Chemical Compositions, and Aluminum Distributions

Journal of the American Chemical Society, 2016.

K. Muraoka, W. Chaikittisilp, T. Okubo

Organic structure-directing agent-free synthesis of NES-type zeolites using EU-1 seed crystals

Microporous and Mesoporous Materials, 2015.

K. Iyoki, M. Takase, K. Itabashi, K. Muraoka, W. Chaikittisilp, T. Okubo

Highly nanoporous silicas with pore apertures near the boundary between micro- and mesopores through an orthogonal self-assembly approach

Chemical Communications, 2015.

K. Muraoka, W. Chaikittisilp, Y. Yanaba, T. Yoshikawa, T. Okubo

Mesoporous Architectures with Highly Crystallized Frameworks

Journal of Materials Chemistry A, 2014.

W. Chaikittisilp, K. Muraoka, Q. Ji, K. Ariga, Y. Yamauchi

科学コミュニケーションにおけるブラックボックスの分析と応用

科学技術コミュニケーション, 2011.

村岡恒輝, 山邉昭則