Ion-Specific Anomalous Water Diffusion in Aqueous Electrolytes: A Machine-Learned Many-Body Force Field Study with MACE
Fuente:
arXiv
Saved in:
| Main Authors: | Ciacchi, Massimo, Saitov, Ilnur, Di Fonte, Nico, Daidone, Isabella, Pierleoni, Carlo |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Ion-Specific Effects at the Surface of Water
by: Sengupta, Sanghamitra, et al.
Published: (2025)
by: Sengupta, Sanghamitra, et al.
Published: (2025)
Understanding the Lithium Ion Transport in Concentrated Block-Copolymer Electrolytes on a Microscopic Level
by: Kimms, Len, et al.
Published: (2020)
by: Kimms, Len, et al.
Published: (2020)
Salt Effects on Ionic Conductivity Mechanisms in Ethylene Carbonate Electrolytes: Interplay of Viscosity and Ion-ion Relaxations
by: Teherpuria, Hema, et al.
Published: (2024)
by: Teherpuria, Hema, et al.
Published: (2024)
Anomalous Diffusion in Driven Electrolytes due to Hydrodynamic Fluctuations
by: Golestanian, Ramin
Published: (2025)
by: Golestanian, Ramin
Published: (2025)
Structural and Dynamical Crossovers in Dense Electrolytes
by: Kim, Daehyeok, et al.
Published: (2025)
by: Kim, Daehyeok, et al.
Published: (2025)
Electro-Chemo-Mechanical Model for Polymer Electrolytes
by: Möhrle, Daniel O., et al.
Published: (2023)
by: Möhrle, Daniel O., et al.
Published: (2023)
Mesoscopic Correlations in Aqueous Alkylamine Mixtures Between Molecular and Micro Emulsions
by: Perera, Aurelien
Published: (2025)
by: Perera, Aurelien
Published: (2025)
Interplay of Coil-Globule Transitions and Aggregation in Homopolymer Aqueous Solutions: Simulation and Topological Insights
by: Komatsu, Junichi, et al.
Published: (2025)
by: Komatsu, Junichi, et al.
Published: (2025)
Statistical-Mechanical Theory on the Probability Distribution Function for the Net Charge of an Electrolyte Droplet
by: Uematsu, Yuki, et al.
Published: (2025)
by: Uematsu, Yuki, et al.
Published: (2025)
Many-Body Dissipative Particle Dynamics Simulations of Lipid Bilayers with the MDPD-MARTINI Force-Field
by: Kramarz, Natalia, et al.
Published: (2025)
by: Kramarz, Natalia, et al.
Published: (2025)
Perspective: Atomistic Simulations of Water and Aqueous Systems with Machine Learning Potentials
by: Omranpour, Amir, et al.
Published: (2024)
by: Omranpour, Amir, et al.
Published: (2024)
Interplay of Structure and Dynamics in Solid Polymer Electrolytes: a Molecular Dynamics Study of LiPF6/polypropylene carbonate
by: Coste, Amaury, et al.
Published: (2026)
by: Coste, Amaury, et al.
Published: (2026)
Bridging Electrostatic Screening and Ion Transport in Lithium Salt-Doped Ionic Liquids
by: Park, Hyungshick, et al.
Published: (2025)
by: Park, Hyungshick, et al.
Published: (2025)
Machine learning evaluation of structural descriptors for supercooled water
by: Yoshikawa, Kohei, et al.
Published: (2026)
by: Yoshikawa, Kohei, et al.
Published: (2026)
Ion transport through differently charged nanoporous membranes: from a single nanopore to multi-nanopores
by: Zhang, Hongwen, et al.
Published: (2025)
by: Zhang, Hongwen, et al.
Published: (2025)
Extrapolation of Machine-Learning Interatomic Potentials for Organic and Polymeric Systems
by: Hooven, Natalie E., et al.
Published: (2025)
by: Hooven, Natalie E., et al.
Published: (2025)
Accurate Thermophysical Properties of Water using Machine-Learned Potentials
by: Hilpert, Tobias, et al.
Published: (2026)
by: Hilpert, Tobias, et al.
Published: (2026)
Ion correlation driven like-charge attraction in multivalent salt solutions
by: Agrawal, Nikhil R., et al.
Published: (2023)
by: Agrawal, Nikhil R., et al.
Published: (2023)
Delicate Analysis of Interacting Proteins and Their Assemblies by Flow Field-Flow Fractionation Techniques
by: Urbes, Aurélien, et al.
Published: (2024)
by: Urbes, Aurélien, 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)
by: Zhang, Chao, et al.
Published: (2024)
Molecular Fingerprints of Ice Surfaces in Sum Frequency Generation Spectra: a First Principles Machine Learning Study
by: Berrens, Margaret L., et al.
Published: (2024)
by: Berrens, Margaret L., et al.
Published: (2024)
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)
by: Yuan, Sihao, et al.
Published: (2023)
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)
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)
by: Rinesh, T., et al.
Published: (2025)
PFP/MM: A Hybrid Approach Combining a Universal Neural Network Potential with Classical Force Fields for Large-Scale Reactive Simulations
by: Miyazaki, Yu, et al.
Published: (2026)
by: Miyazaki, Yu, et al.
Published: (2026)
There is Nothing Anomalous about 'Anomalous' Underscreening in Concentrated Electrolytes
by: Baker, Sophie, et al.
Published: (2024)
by: Baker, Sophie, et al.
Published: (2024)
Anomalous Long-range Hard-wall Repulsion between Polymers in Solvent Mixtures and Its Implication for Biomolecular Condensates
by: Liu, Luofu, et al.
Published: (2025)
by: Liu, Luofu, et al.
Published: (2025)
Anomalously low dielectric constant of confined water
by: Fumagalli, L., et al.
Published: (2018)
by: Fumagalli, L., et al.
Published: (2018)
Frequency-Dependent Conductivity of Concentrated Electrolytes: A Stochastic Density Functional Theory
by: Bonneau, Haggai, et al.
Published: (2024)
by: Bonneau, Haggai, et al.
Published: (2024)
Effect of particle and substrate wettability on evaporation-driven assembly of colloidal monolayers
by: Xie, Qingguang, et al.
Published: (2025)
by: Xie, Qingguang, et al.
Published: (2025)
A Generalized Nucleation Theory for Ice Crystallization
by: Li, Maodong, et al.
Published: (2023)
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)
by: Puccinelli, Thiago, et al.
Published: (2025)
Evolution of surfactant-free 'pristine' emulsions
by: Dukhin, Andrei, et al.
Published: (2025)
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)
by: Kogan, David, et al.
Published: (2025)
Charging dynamics of electric double layer nanocapacitors in mean-field
by: Palaia, Ivan, et al.
Published: (2023)
by: Palaia, Ivan, et al.
Published: (2023)
Template-free precision synthesis of biphilic microdome arrays
by: Xu, Haobo, et al.
Published: (2025)
by: Xu, Haobo, et al.
Published: (2025)
Topological origin of peak splitting in the structure factor of liquid water
by: Beaulieu, Zoé Faure, et al.
Published: (2026)
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)
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)
by: Melnik, Svetlana, et al.
Published: (2022)
Deep learning of committor and explainable artificial intelligence analysis for identifying reaction coordinates
by: Mori, Toshifumi, et al.
Published: (2026)
by: Mori, Toshifumi, et al.
Published: (2026)
Similar Items
-
Ion-Specific Effects at the Surface of Water
by: Sengupta, Sanghamitra, et al.
Published: (2025) -
Understanding the Lithium Ion Transport in Concentrated Block-Copolymer Electrolytes on a Microscopic Level
by: Kimms, Len, et al.
Published: (2020) -
Salt Effects on Ionic Conductivity Mechanisms in Ethylene Carbonate Electrolytes: Interplay of Viscosity and Ion-ion Relaxations
by: Teherpuria, Hema, et al.
Published: (2024) -
Anomalous Diffusion in Driven Electrolytes due to Hydrodynamic Fluctuations
by: Golestanian, Ramin
Published: (2025) -
Structural and Dynamical Crossovers in Dense Electrolytes
by: Kim, Daehyeok, et al.
Published: (2025)