| Microscopic barrier mechanism of ion transport through liquid–liquid interface N Kikkawa, L Wang, A Morita Journal of the American Chemical Society 137 (25), 8022-8025, 2015 | 86 | 2015 |
| Computational study of effect of water finger on ion transport through water-oil interface N Kikkawa, L Wang, A Morita The Journal of chemical physics 145 (1), 2016 | 37 | 2016 |
| Surface acidity of water probed by free energy calculation for trimethylamine protonation Y Tabe, N Kikkawa, H Takahashi, A Morita The Journal of Physical Chemistry C 118 (2), 977-988, 2014 | 36* | 2014 |
| Molecular dynamics study of phase transfer catalyst for ion transfer through water–chloroform interface N Kikkawa, T Ishiyama, A Morita Chemical physics letters 534, 19-22, 2012 | 28 | 2012 |
| The origins of binding specificity of a lanthanide ion binding peptide T Hatanaka, N Kikkawa, A Matsugami, Y Hosokawa, F Hayashi, N Ishida Scientific reports 10 (1), 19468, 2020 | 16 | 2020 |
| Tip-enhanced Raman spectroscopy of 4, 4′-bipyridine and 4, 4′-bipyridine N, N'-dioxide adsorbed on gold thin films II Rzeźnicka, H Horino, N Kikkawa, S Sakaguchi, A Morita, S Takahashi, ... Surface science 617, 1-9, 2013 | 16 | 2013 |
| Hydrated ion clusters in hydrophobic liquid: Equilibrium distribution, kinetics, and implications L Wang, N Kikkawa, A Morita The Journal of physical chemistry B 122 (13), 3562-3571, 2018 | 15 | 2018 |
| Does an ionomer penetrate a carbon mesopore? Free-energy analysis using molecular dynamics simulations N Kikkawa, R Jinnouchi The Journal of Physical Chemistry C 126 (28), 11518-11528, 2022 | 12 | 2022 |
| Interfacial distribution of nafion ionomer thin films on nitrogen-modified carbon surfaces W Yoshimune, N Kikkawa, H Yoneyama, N Takahashi, S Minami, ... ACS Applied Materials & Interfaces 14 (48), 53744-53754, 2022 | 10 | 2022 |
| Autonomous Search for Polymers with High Thermal Conductivity Using a Rapid Green–Kubo Estimation A Nagoya, N Kikkawa, N Ohba, T Baba, S Kajita, K Yanai, T Takeno Macromolecules 55 (9), 3384-3395, 2022 | 10 | 2022 |
| Finding a novel electrolyte solution of lithium-ion batteries using an autonomous search system based on ensemble optimization A Suzumura, H Ohno, N Kikkawa, K Takechi Journal of Power Sources 541, 231698, 2022 | 9 | 2022 |
| Self-learning molecular design for high lithium-ion conductive ionic liquids using maze game N Kikkawa, S Kajita, K Takechi Journal of Chemical Information and Modeling 60 (10), 4904-4911, 2020 | 7 | 2020 |
| Materials discovery using max K-armed bandit N Kikkawa, H Ohno Journal of Machine Learning Research 25 (100), 1-40, 2024 | 3 | 2024 |
| Human divergent exploration capacity for material design: A comparison with artificial intelligence H Sakai, K Matsuda, N Kikkawa, S Kajita Computers in Human Behavior: Artificial Humans 2 (1), 100064, 2024 | 3 | 2024 |
| Comprehensive Molecular Dynamics Study of Oxygen Diffusion in Carbon Mesopores: Insights for Designing Fuel-Cell Catalyst Supports N Kikkawa, M Kimura Langmuir 40 (3), 1674-1687, 2024 | 2 | 2024 |
| Mechanism of Ionomer Film Formation via Solution Drying T Kinjo, N Hasegawa, S Yamakawa, N Kikkawa, R Jinnouchi ACS Macro Letters 13 (1), 82-86, 2024 | 2 | 2024 |
| Accurate multiscale simulation of frictional interfaces by quantum mechanics/Green’s function molecular dynamics S Kajita, A Pacini, G Losi, N Kikkawa, MC Righi Journal of Chemical Theory and Computation 19 (15), 5176-5188, 2023 | 2 | 2023 |
| Extraction of component bases from mixed spectra using non-negative matrix factorization with dissimilarity regularization N Kikkawa, A Suzumura, K Nishikawa, S Tajima, S Kajita Chemometrics and Intelligent Laboratory Systems 206, 104096, 2020 | 2 | 2020 |
| Materials Discovery using Max K-Armed Bandit N Kikkawa, H Ohno arXiv preprint arXiv:2212.08225, 2022 | 1 | 2022 |
| Unveiling the role of hydration during the interfacial transport process of hydrophilic ion using free energy calculation L Wang, N Kikkawa, A Morita preparation, 0 | 1 | |
