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Michio Katouda

A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials
2016 · Ichiro Hisaki, Shoichi Nakagawa, et al. · Journal of the American Chemical Society · 231
Anisotropic Poisson Effect and Deformation‐Induced Fluorescence Change of Elastic 9,10‐Dibromoanthracene Single Crystals
2020 · Shotaro Hayashi, Fumitaka Ishiwari, et al. · Angewandte Chemie International Edition · 119
Molecular tailoring approach in conjunction with MP2 and Ri‐MP2 codes: A comparison with fragment molecular orbital method
2010 · Anuja P. Rahalkar, Michio Katouda, et al. · Journal of Computational Chemistry · 75
NTChem: A high‐performance software package for quantum molecular simulation
2014 · Takahito Nakajima, Michio Katouda, et al. · International Journal of Quantum Chemistry · 73
Efficient parallel algorithm of second‐order Møller–Plesset perturbation theory with resolution‐of‐identity approximation (RI‐MP2)
2009 · Michio Katouda, Shigeru Nagase · International Journal of Quantum Chemistry · 73
New Insights in the Natural Organic Matter Fouling Mechanism of Polyamide and Nanocomposite Multiwalled Carbon Nanotubes-Polyamide Membranes
2019 · Rodolfo Cruz-Silva, Yoshihiro Takizawa, et al. · Environmental Science & Technology · 65
From C 60 to Infinity: Large-Scale Quantum Chemistry Calculations of the Heats of Formation of Higher Fullerenes
2016 · Bun Chan, Yukio Kawashima, et al. · Journal of the American Chemical Society · 44
Predicting toxicity by quantum machine learning
2020 · Teppei Suzuki, Michio Katouda · Journal of Physics Communications · 41
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MPI/OpenMP Hybrid Parallel Algorithm of Resolution of Identity Second-Order Møller–Plesset Perturbation Calculation for Massively Parallel Multicore Supercomputers
2013 · Michio Katouda, Takahito Nakajima · Journal of Chemical Theory and Computation · 41
Inversion of Optical Activity in the Synthesis of Mercury Sulfide Nanoparticles: Role of Ligand Coordination
2018 · Jumpei Kuno, Yutaka Imamura, et al. · Angewandte Chemie International Edition · 37
Theory of chemical bonds in metalloenzymes XXI. Possible mechanisms of water oxidation in oxygen evolving complex of photosystem II
2018 · Kizashi Yamaguchi, Mitsuo Shoji, et al. · Molecular Physics · 37
ChemTSv2 : Functional molecular design using de novo molecule generator
2023 · Shoichi Ishida, Tanuj Aasawat, et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 32
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Massively parallel algorithm and implementation of RI-MP2 energy calculation for peta-scale many-core supercomputers
2016 · Michio Katouda, Akira Naruse, et al. · Journal of Computational Chemistry · 32
Optimization of RI-MP2 Auxiliary Basis Functions for 6-31G** and 6-311G** Basis Sets for First-, Second-, and Third-Row Elements
2013 · Masato Tanaka, Michio Katouda, et al. · Journal of Computational Chemistry · 32
Charge Dynamics at Heterojunction between Face-on/Edge-on PCPDTBT and PCBM Bilayer: Interplay of Donor/Acceptor Distance and Local Charge Carrier Mobility
2016 · Yoshiki Shimata, Marina Ide, et al. · The Journal of Physical Chemistry C · 31
Extension of energy density analysis to periodic boundary condition calculation: Evaluation of locality in extended systems
2007 · Hiromi Nakai, Yuji Kurabayashi, et al. · Chemical Physics Letters · 31
Application of second-order Møller–Plesset perturbation theory with resolution-of-identity approximation to periodic systems
2010 · Michio Katouda, Shigeru Nagase · The Journal of Chemical Physics · 30
Energy density analysis of cluster size dependence of surface-molecule interactions: H2, C2H2, C2H4, and CO adsorption onto Si(100)-(2×1) surface
2004 · Hiromi Nakai, Michio Katouda, et al. · The Journal of Chemical Physics · 29
Automatic High-Throughput Screening Scheme for Organic Photovoltaics: Estimating the Orbital Energies of Polymers from Oligomers and Evaluating the Photovoltaic Characteristics
2017 · Yutaka Imamura, Motomichi Tashiro, et al. · The Journal of Physical Chemistry C · 26
Two‐level hierarchical parallelization of second‐order Møller–plesset perturbation calculations in divide‐and‐conquer method
2011 · Michio Katouda, Masato Kobayashi, et al. · Journal of Computational Chemistry · 23
Anisotropic Poisson Effect and Deformation‐Induced Fluorescence Change of Elastic 9,10‐Dibromoanthracene Single Crystals
2020 · Shotaro Hayashi, Fumitaka Ishiwari, et al. · Angewandte Chemie · 21
A Simple Model for Relative Energies of All Fullerenes Reveals the Interplay between Intrinsic Resonance and Structural Deformation Effects in Medium-Sized Fullerenes
2019 · Bun Chan, Yukio Kawashima, et al. · Journal of Chemical Theory and Computation · 21
Artificial intelligence for the prevention and prediction of colorectal neoplasms
2023 · Kohjiro Tokutake, Aaron Morelos-Gomez, et al. · Journal of Translational Medicine · 19
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From Linear to Foldamer and Assembly: Hierarchical Transformation of a Coplanar Conjugated Polymer into a Microsphere
2017 · Soh Kushida, Osamu Oki, et al. · The Journal of Physical Chemistry Letters · 15
Application of resolution of identity approximation of second-order Møller–Plesset perturbation theory to three-body fragment molecular orbital method
2011 · Michio Katouda · Theoretical Chemistry Accounts · 15
Works count: 42
Citation count: 1,273
H-index: 21
I10-index: 29
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