:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Miyazaki, Yu, Tomita, Atsuhiro, Hayashi, Akihide, Takamoto, So, Takemoto, Mizuki, Mori, Hodaka
Format:	Preprint
Published:	2026
Subjects:	Materials Science Soft Condensed Matter Chemical Physics
Online Access:	https://arxiv.org/abs/2603.16061
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Ready-to-Use Polymerization Simulations Combining Universal Machine Learning Interatomic Potential with Time-Dependent Bond Boosting for Polymer and Interface Design
by: Mori, Hodaka, et al.
Published: (2025)

Prediction of the aqueous redox properties of functionalized quinones using a new QM/MM variational formulation
by: Labat, Maxime, et al.
Published: (2025)

Ion-Specific Anomalous Water Diffusion in Aqueous Electrolytes: A Machine-Learned Many-Body Force Field Study with MACE
by: Ciacchi, Massimo, et al.
Published: (2026)

Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms using Molecular Configuration Transformer
by: Yuan, Sihao, et al.
Published: (2023)

Classical theory of nucleation applied to condensation of a Lennard-Jones fluid
by: Wu, Yijian, et al.
Published: (2024)

Enhanced Classical Nucleation Theory for Cavitation Inception in the Presence of Gaseous Nuclei
by: Dawoodian, Mazyar, et al.
Published: (2025)

Deep learning of committor and explainable artificial intelligence analysis for identifying reaction coordinates
by: Mori, Toshifumi, et al.
Published: (2026)

Reactive Molecular Dynamics Simulation on DNA Double Strand Breaks Induced by Hydrogen Elimination
by: Nakamura, Hiroaki, et al.
Published: (2024)

Deep learning of committor for ion dissociation and interpretable analysis of solvent effects using atom-centered symmetry functions
by: Okada, Kenji, et al.
Published: (2025)

Unveiling interatomic distances influencing the reaction coordinates in alanine dipeptide isomerization: An explainable deep learning approach
by: Okada, Kazushi, et al.
Published: (2024)

Extrapolation of Machine-Learning Interatomic Potentials for Organic and Polymeric Systems
by: Hooven, Natalie E., et al.
Published: (2025)

Accurate Thermophysical Properties of Water using Machine-Learned Potentials
by: Hilpert, Tobias, et al.
Published: (2026)

Diffuse-Layer Capacitance at the Potential of Zero Charge in Binary Mixtures
by: Uematsu, Yuki
Published: (2025)

pH-Dependent Zeta Potential Induces Diffusiophoretic Focusing in an Acid-Base Reaction
by: Coleman, Ethan, et al.
Published: (2025)

Intermolecular Interactions between Polyethylene, Water, and Potential Antistatic and Slip Additives: a Molecular Dynamics Study
by: Cammarata, María del Mar, et al.
Published: (2025)

Perspective: Atomistic Simulations of Water and Aqueous Systems with Machine Learning Potentials
by: Omranpour, Amir, et al.
Published: (2024)

Delicate Analysis of Interacting Proteins and Their Assemblies by Flow Field-Flow Fractionation Techniques
by: Urbes, Aurélien, et al.
Published: (2024)

Interplay of Coil-Globule Transitions and Aggregation in Homopolymer Aqueous Solutions: Simulation and Topological Insights
by: Komatsu, Junichi, et al.
Published: (2025)

Potential Energy Landscape of a Flexible Water Model: Equation-of-State, Configurational Entropy, and Adam-Gibbs Relationship
by: Eltareb, Ali, et al.
Published: (2024)

Dimensional Analysis Theory and Molecular Dynamics Simulation of Polypropylene Melt Flow during Injection Molding Process
by: Zhang, Jinrong, et al.
Published: (2024)

Ionic Selectivity of Nanopores: Comparison among Cases under the Hydrostatic Pressure, Electric Field, and Concentration Gradient
by: Zhang, Chao, et al.
Published: (2024)

Isotope effects in supercooled H$_2$O and D$_2$O and a corresponding-states-like rescaling of the temperature and pressure
by: Kimmel, Greg A.
Published: (2024)

Role of Molecular Structure in Defining the Dynamical Landscape of Deep Eutectic Solvents at Nanoscale
by: Rinesh, T., et al.
Published: (2025)

Separable Force Matching of PBE0 Hybrid-Functional Reference Forces for Path-Integral Simulations of Liquid Water
by: Kessler, Jan, et al.
Published: (2026)

Effect of particle and substrate wettability on evaporation-driven assembly of colloidal monolayers
by: Xie, Qingguang, et al.
Published: (2025)

A Generalized Nucleation Theory for Ice Crystallization
by: Li, Maodong, et al.
Published: (2023)

Competing Length Scales and Symmetry Frustration Govern Non-Universal Melting in 2D Core-softened Colloidal Crystals
by: Puccinelli, Thiago, et al.
Published: (2025)

Evolution of surfactant-free 'pristine' emulsions
by: Dukhin, Andrei, et al.
Published: (2025)

SAOS and LAOS rheology for differentiating chemical and physical crosslinking: A case study on PVA hydrogels
by: Kogan, David, et al.
Published: (2025)

Charging dynamics of electric double layer nanocapacitors in mean-field
by: Palaia, Ivan, et al.
Published: (2023)

Template-free precision synthesis of biphilic microdome arrays
by: Xu, Haobo, et al.
Published: (2025)

Structural and Dynamical Crossovers in Dense Electrolytes
by: Kim, Daehyeok, et al.
Published: (2025)

Topological origin of peak splitting in the structure factor of liquid water
by: Beaulieu, Zoé Faure, et al.
Published: (2026)

Near surface concentration profile of sheared semi-dilute polymer solutions
by: Lafon, Suzanne, et al.
Published: (2023)

Confinement-controlled Water Engenders High Energy Density Electrochemical-double-layer Capacitance
by: Melnik, Svetlana, et al.
Published: (2022)

Markov State Model for the forced unfolding of a small peptide
by: Oestereich, Marco, et al.
Published: (2026)

Theory and modeling of molecular modes in the NMR relaxation of fluids
by: Santos, Thiago J. Pinheiro dos, et al.
Published: (2023)

Modulation Mechanism of Ionic Transport through Short Nanopores by Charged Exterior Surfaces
by: Ma, Long, et al.
Published: (2024)

Information Bottleneck in Peptide Conformation Determination by X-ray Absorption Spectroscopy
by: Eronen, Eemeli A., et al.
Published: (2023)

The Equation of Excluded Volume Effects: A Minor Improvement in the Evaluation of the Inhomogeneity Term
by: Suematsu, Kazumi, et al.
Published: (2024)