7 citations · 30 across the 12 of their papers we have counts for
4 papers · 1 filter
Deep learning of committor for ion dissociation and interpretable analysis of solvent effects using atom-centered symmetry functions
Kenji Okada, Kazushi Okada, Kei-ichi Okazaki +3
The association and dissociation of ion pairs in water are fundamental to physical chemistry, yet their reaction coordinates are complex, involving not only interionic distance but…
Elucidation of the Correlation between Molecular Conformation and Shear Viscosity of Polymer Melts under Steady-State Shear Flow
Yuhi Sakamaki, Shota Goto, Kang Kim +1
The rheological behavior of polymer melts is strongly influenced by parameters such as chain length, chain stiffness, and architecture. In particular, shear thinning, characterized…
Dual effect of cholesterol on interfacial water dynamics in lipid membranes: Interplay between membrane packing and hydration
Kokoro Shikata, Kento Kasahara, Nozomi Morishita Watanabe +3
Water contained within biological membranes plays a critical role in maintaining the separation between intracellular and extracellular environments and facilitating biochemical pr…
Graph neural network-based structural classification of glass-forming liquids and its interpretation via self-attention mechanism
Kohei Yoshikawa, Kentaro Yano, Shota Goto +2
Glass-forming liquids exhibit slow dynamics below their melting temperatures, maintaining an amorphous structure reminiscent of normal liquids. Distinguishing microscopic structure…