| Machine learning-aided analysis for complex local structure of liquid crystal polymers H Doi, KZ Takahashi, K Tagashira, J Fukuda, T Aoyagi Scientific reports 9 (1), 16370, 2019 | 39 | 2019 |
| Dissipative particle dynamics (DPD) simulations with fragment molecular orbital (FMO) based effective parameters for 1-Palmitoyl-2-oleoyl phosphatidyl choline (POPC) membrane H Doi, K Okuwaki, Y Mochizuki, T Ozawa, K Yasuoka Chemical Physics Letters 684, 427-432, 2017 | 33 | 2017 |
| Theoretical analyses on water cluster structures in polymer electrolyte membrane by using dissipative particle dynamics simulations with fragment molecular orbital based … K Okuwaki, Y Mochizuki, H Doi, S Kawada, T Ozawa, K Yasuoka RSC advances 8 (60), 34582-34595, 2018 | 29 | 2018 |
| Fragment molecular orbital based parametrization procedure for mesoscopic structure prediction of polymeric materials K Okuwaki, Y Mochizuki, H Doi, T Ozawa The Journal of Physical Chemistry B 122 (1), 338-347, 2018 | 24 | 2018 |
| Mining of effective local order parameters for classifying crystal structures: A machine learning study H Doi, KZ Takahashi, T Aoyagi The Journal of chemical physics 152 (21), 2020 | 20 | 2020 |
| Folding simulation of small proteins by dissipative particle dynamics (DPD) with non-empirical interaction parameters based on fragment molecular orbital calculations K Okuwaki, H Doi, K Fukuzawa, Y Mochizuki Applied Physics Express 13 (1), 017002, 2019 | 19 | 2019 |
| Influence of Trimethylamine N-Oxide (TMAO) on the Three-dimensional Distribution and Alignment of Solvent Molecules in Aqueous Solution H Doi, Y Watanabe, M Aida Chemistry Letters 43 (6), 865-867, 2014 | 18 | 2014 |
| Stabilization mechanism for a nonfibrillar amyloid β oligomer based on formation of a hydrophobic core determined by dissipative particle dynamics R Kawai, S Chiba, K Okuwaki, R Kanada, H Doi, M Ono, Y Mochizuki, ... ACS Chemical Neuroscience 11 (3), 385-394, 2020 | 17 | 2020 |
| Searching local order parameters to classify water structures of ice Ih, Ic, and liquid H Doi, KZ Takahashi, T Aoyagi The Journal of Chemical Physics 154 (16), 2021 | 15 | 2021 |
| An automated framework to evaluate effective interaction parameters for dissipative particle dynamics simulations based on the fragment molecular orbital (FMO) method K Okuwaki, H Doi, Y Mochizuki JOURNAL OF COMPUTER CHEMISTRY-JAPAN 17 (2), 102-109, 2018 | 11 | 2018 |
| Comparative study on the deposition of enzyme-entrapped membranes with spatial homogeneity for bioimaging T Iwata, H Doi, K Okumura, T Horio, T Hattori, K Takahashi, K Sawada Sensors and Actuators B: Chemical 239, 800-806, 2017 | 11 | 2017 |
| Application of TensorFlow to recognition of visualized results of fragment molecular orbital (FMO) calculations S Saitou, J Iijima, M Fujimoto, Y Mochizuki, K Okuwaki, H Doi, Y Komeiji Chem-Bio Informatics Journal 18, 58-69, 2018 | 8 | 2018 |
| A New Treatment for Water near the Interface between Lipid Membrane and Silica in Dissipative Particle Dynamics Simulation H Doi, K Okuwaki, Y Mochizuki, T Ozawa JOURNAL OF COMPUTER CHEMISTRY-JAPAN 16 (1), 28-31, 2017 | 8 | 2017 |
| Mining of effective local order parameters to classify ice polymorphs H Doi, KZ Takahashi, T Aoyagi The Journal of Physical Chemistry A 125 (43), 9518-9526, 2021 | 7 | 2021 |
| Searching for local order parameters to classify water structures at triple points H Doi, KZ Takahashi, T Aoyagi Journal of Computational Chemistry 42 (24), 1720-1727, 2021 | 7 | 2021 |
| Formation mechanism of lipid membrane and vesicle using small angle X-ray scattering and dissipative particle dynamics (DPD) method E Shinsho, K Okuwaki, H Doi, Y Mochizuki, T Furuishi, K Fukuzawa, ... JOURNAL OF COMPUTER CHEMISTRY-JAPAN 17 (4), 172-179, 2018 | 7 | 2018 |
| H 2 O 2 and glutamate imaging with improved sensitivity based on charge-transfer-type potentiometric redox sensor arrays Y Okumura, T Iwata, K Okumura, H Shiguma, T Horio, H Doi, K Takahashi, ... IMCS 2018 Conference, 141-142, 2018 | 5 | 2018 |
| Replica exchange molecular simulation of Lennard–Jones particles in a two-dimensional confined system K Yasuoka AIP Advances 7 (5), 2017 | 5 | 2017 |
| Machine learning to improve efficiency of non-empirical interaction parameter for dissipative particle dynamics (DPD) simulation H Doi, S Matsuoka, K Okuwaki, R Hatada, S Minami, R Suhara, ... Japanese Journal of Applied Physics 62 (7), 070901, 2023 | 4 | 2023 |
| Regression analysis for predicting the elasticity of liquid crystal elastomers H Doi, KZ Takahashi, H Yasuoka, J Fukuda, T Aoyagi Scientific reports 12 (1), 19788, 2022 | 4 | 2022 |
Yuji MochizukiRikkyo University, ProfessorBestätigte E-Mail-Adresse bei rikkyo.ac.jp
