Kenji Yasuoka

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 23

Top Topics

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

ACS applied materials & interfaces

Communications chemistry

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Akie Kowaguchi, Paul E Brumby, Kenji Yasuoka
Hysteresis Elimination for an Anisotropic Liquid-Crystal Model via Molecule Design and Replica-Exchange Optimization. Journal of chemical information and modeling (2024)
Akie Kowaguchi, Paul E Brumby, Kenji Yasuoka
Hysteresis Elimination for an Anisotropic Liquid-Crystal Model via Molecule Design and Replica-Exchange Optimization. Journal of chemical information and modeling 64 (12) (2024)
Ikki Yasuda, Katsuhiro Endo, Noriyoshi Arai, Kenji Yasuoka
In-layer inhomogeneity of molecular dynamics in quasi-liquid layers of ice. Communications chemistry 7 (1) (2024)
Ikki Yasuda, Katsuhiro Endo, Noriyoshi Arai, Kenji Yasuoka
In-layer inhomogeneity of molecular dynamics in quasi-liquid layers of ice. Communications chemistry 7 (1) (2024)
Satoki Ishiai, Ikki Yasuda, Katsuhiro Endo, Kenji Yasuoka
Graph-Neural-Network-Based Unsupervised Learning of the Temporal Similarity of Structural Features Observed in Molecular Dynamics Simulations. Journal of chemical theory and computation 20 (2) (2024)
Satoki Ishiai, Ikki Yasuda, Katsuhiro Endo, Kenji Yasuoka
Graph-Neural-Network-Based Unsupervised Learning of the Temporal Similarity of Structural Features Observed in Molecular Dynamics Simulations. Journal of chemical theory and computation (2024)
Noriyoshi Arai, Eiji Yamamoto, Takahiro Koishi, Yoshinori Hirano, Kenji Yasuoka, Toshikazu Ebisuzaki
Wetting hysteresis induces effective unidirectional water transport through a fluctuating nanochannel. Nanoscale horizons (2023)
Paul E Brumby, Akie Kowaguchi, Takuma Nozawa, Kenji Yasuoka, Henricus H Wensink
Pre-Smectic Ordering and the Unwinding Helix in Monte Carlo Simulations of Cholesteric Liquid-Crystals. The journal of physical chemistry. B (2023)
Ikki Yasuda, Yusei Kobayashi, Katsuhiro Endo, Yoshihiro Hayakawa, Kazuhiko Fujiwara, Kuniaki Yajima, Noriyoshi Arai, Kenji Yasuoka
Combining Molecular Dynamics and Machine Learning to Analyze Shear Thinning for Alkane and Globular Lubricants in the Low Shear Regime. ACS applied materials & interfaces (2023)
Ikki Yasuda, Yusei Kobayashi, Katsuhiro Endo, Yoshihiro Hayakawa, Kazuhiko Fujiwara, Kuniaki Yajima, Noriyoshi Arai, Kenji Yasuoka
Combining Molecular Dynamics and Machine Learning to Analyze Shear Thinning for Alkane and Globular Lubricants in the Low Shear Regime. ACS applied materials & interfaces (2023)
Ikki Yasuda, Yusei Kobayashi, Katsuhiro Endo, Yoshihiro Hayakawa, Kazuhiko Fujiwara, Kuniaki Yajima, Noriyoshi Arai, Kenji Yasuoka
Combining Molecular Dynamics and Machine Learning to Analyze Shear Thinning for Alkane and Globular Lubricants in the Low Shear Regime. ACS applied materials & interfaces 15 (6) (2023)
Ryo Kawada, Katsuhiro Endo, Daisuke Yuhara, Kenji Yasuoka
MD-GAN with multi-particle input: the machine learning of long-time molecular behavior from short-time MD data. Soft matter 18 (44) (2022)
Ryo Kawada, Katsuhiro Endo, Kenji Yasuoka, Hidekazu Kojima, Nobuyuki Matubayasi
Prediction of Water Diffusion in Wide Varieties of Polymers with All-Atom Molecular Dynamics Simulations and Deep Generative Models. Journal of chemical information and modeling (2022)
Masanari Ishiyama, Kenji Yasuoka, Makoto Asai
Impact of free energy of polymers on polymorphism of polymer-grafted nanoparticles. Soft matter 18 (34) (2022)
Ikki Yasuda, Katsuhiro Endo, Eiji Yamamoto, Yoshinori Hirano, Kenji Yasuoka
Differences in ligand-induced protein dynamics extracted from an unsupervised deep learning approach correlate with protein-ligand binding affinities. Communications biology 5 (1) (2022)
Akie Kowaguchi, Katsuhiro Endo, Paul E Brumby, Kentaro Nomura, Kenji Yasuoka
Optimal Replica-Exchange Molecular Simulations in Combination with Evolution Strategies. Journal of chemical information and modeling (2022)
Akie Kowaguchi, Paul E Brumby, Kenji Yasuoka
Phase Transitions and Hysteresis for a Simple Model Liquid Crystal by Replica-Exchange Monte Carlo Simulations. Molecules (Basel, Switzerland) 26 (5) (2021)
Takuma Nozawa, Paul E Brumby, Sho Ayuba, Kenji Yasuoka
Ordering in clusters of uniaxial anisotropic particles during homogeneous nucleation and growth. The Journal of chemical physics 150 (5) (2019)
Paul E Brumby, Daisuke Yuhara, Tomohiro Hasegawa, David T Wu, Amadeu K Sum, Kenji Yasuoka
Cage occupancies, lattice constants, and guest chemical potentials for structure II hydrogen clathrate hydrate from Gibbs ensemble Monte Carlo simulations. The Journal of chemical physics 150 (13) (2019)
Katsuhiro Endo, Daisuke Yuhara, Katsufumi Tomobe, Kenji Yasuoka
Detection of molecular behavior that characterizes systems using a deep learning approach. Nanoscale 11 (20) (2019)
Takuma Nozawa, Paul E Brumby, Kenji Yasuoka
Effect of Central Longitudinal Dipole Interactions on Chiral Liquid-Crystal Phases. International journal of molecular sciences 19 (9) (2018)
Koji Okuwaki, Yuji Mochizuki, Hideo Doi, Shutaro Kawada, Taku Ozawa, Kenji Yasuoka
Theoretical analyses on water cluster structures in polymer electrolyte membrane by using dissipative particle dynamics simulations with fragment molecular orbital based effective parameters. RSC advances 8 (60) (2018)
Katsufumi Tomobe, Eiji Yamamoto, Dušan Kojić, Yohei Sato, Masato Yasui, Kenji Yasuoka
Origin of the blueshift of water molecules at interfaces of hydrophilic cyclic compounds. Science advances 3 (12) (2017)