Nuclear quantum effects induce superionic proton transport in nanoconfined water
Fuente:
arXiv
Saved in:
| Main Authors: | Ravindra, Pavan, Advincula, Xavier R., Shi, Benjamin X., Coles, Samuel W., Michaelides, Angelos, Kapil, Venkat |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Quasi-one-dimensional hydrogen bonding in nanoconfined ice
by: Ravindra, Pavan, et al.
Published: (2023)
by: Ravindra, Pavan, et al.
Published: (2023)
Nanoconfined superionic water is a molecular superionic
by: Coles, Samuel W., et al.
Published: (2025)
by: Coles, Samuel W., et al.
Published: (2025)
The first-principles phase diagram of monolayer nanoconfined water
by: Kapil, Venkat, et al.
Published: (2021)
by: Kapil, Venkat, et al.
Published: (2021)
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
by: Kaur, Harveen, et al.
Published: (2024)
by: Kaur, Harveen, et al.
Published: (2024)
The Wetting of H$_2$O by CO$_2$
by: Brookes, Samuel G. H., et al.
Published: (2024)
by: Brookes, Samuel G. H., et al.
Published: (2024)
Accurate and efficient machine learning interatomic potentials for finite temperature modeling of molecular crystals
by: Della Pia, Flaviano, et al.
Published: (2025)
by: Della Pia, Flaviano, et al.
Published: (2025)
An accurate and efficient framework for modelling the surface chemistry of ionic materials
by: Shi, Benjamin X., et al.
Published: (2024)
by: Shi, Benjamin X., et al.
Published: (2024)
On the increase of the melting temperature of water confined in one-dimensional nano-cavities
by: Della Pia, Flaviano, et al.
Published: (2024)
by: Della Pia, Flaviano, et al.
Published: (2024)
When Is Nanoconfined Water Different From Interfacial Water?
by: Advincula, Xavier R., et al.
Published: (2025)
by: Advincula, Xavier R., et al.
Published: (2025)
Efficient first-principles modeling of complex molecular crystals at sub-chemical accuracy
by: Shi, Benjamin X., et al.
Published: (2026)
by: Shi, Benjamin X., et al.
Published: (2026)
Protons accumulate at the graphene-water interface
by: Advincula, Xavier R., et al.
Published: (2024)
by: Advincula, Xavier R., et al.
Published: (2024)
CO2 Hydration at the Air-Water Interface: A Surface-Mediated 'In and Out' Mechanism
by: Brookes, Samuel G. H., et al.
Published: (2025)
by: Brookes, Samuel G. H., et al.
Published: (2025)
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters
by: Shi, Benjamin X., et al.
Published: (2023)
by: Shi, Benjamin X., et al.
Published: (2023)
The Good, the Bad, and the Ugly of Atomistic Learning for "Clusters-to-Bulk" Generalization
by: Gawkowski, Mikołaj J., et al.
Published: (2025)
by: Gawkowski, Mikołaj J., et al.
Published: (2025)
Supporting data for "An accurate and efficient framework for modelling the surface chemistry of ionic materials"
by: Benjamin X. Shi, et al.
Published: (2025)
by: Benjamin X. Shi, et al.
Published: (2025)
Effect of cation-disorder on lithium transport in halide superionic conductors
by: Zhong, Peichen, et al.
Published: (2024)
by: Zhong, Peichen, et al.
Published: (2024)
Heat transport in superionic materials via machine-learned molecular dynamics
by: Zhou, Wenjiang, et al.
Published: (2025)
by: Zhou, Wenjiang, et al.
Published: (2025)
Mechanisms for the Formation of Active Sites in Single-Atom Alloys
by: Karageorgiou, Ioannis, et al.
Published: (2025)
by: Karageorgiou, Ioannis, et al.
Published: (2025)
Interaction between water and carbon nanostructures: How good are current density functional approximations?
by: Brandenburg, Jan Gerit, et al.
Published: (2019)
by: Brandenburg, Jan Gerit, et al.
Published: (2019)
Introduction to machine learning potentials for atomistic simulations
by: Thiemann, Fabian L., et al.
Published: (2024)
by: Thiemann, Fabian L., et al.
Published: (2024)
How reproducible are first-principles simulations of liquid water?
by: ONeill, Niamh, et al.
Published: (2026)
by: ONeill, Niamh, et al.
Published: (2026)
How reactive is water at the nanoscale and how to control it?
by: Advincula, Xavier R., et al.
Published: (2025)
by: Advincula, Xavier R., et al.
Published: (2025)
Bayesian Methods for the Investigation of Temperature-Dependence in Conductivity
by: McCluskey, Andrew R., et al.
Published: (2025)
by: McCluskey, Andrew R., et al.
Published: (2025)
DMC-ICE13: ambient and high pressure polymorphs of ice from Diffusion Monte Carlo and Density Functional Theory
by: Della Pia, Flaviano, et al.
Published: (2022)
by: Della Pia, Flaviano, et al.
Published: (2022)
Mechanisms of adsorbing hydrogen gas on metal decorated graphene
by: Al-Hamdani, Yasmine S., et al.
Published: (2022)
by: Al-Hamdani, Yasmine S., et al.
Published: (2022)
Time-resolved measurement of Seebeck effect for superionic metals during structural phase transition
by: Li, Shilin, et al.
Published: (2025)
by: Li, Shilin, et al.
Published: (2025)
Defects induce phase transition from dynamic to static rippling in graphene
by: Thiemann, Fabian L., et al.
Published: (2024)
by: Thiemann, Fabian L., et al.
Published: (2024)
Thermal-induced ion magnetic moment in H$_4$O superionic state
by: Liang, Xiao, et al.
Published: (2025)
by: Liang, Xiao, et al.
Published: (2025)
Accurate Estimation of Diffusion Coefficients and their Uncertainties from Computer Simulation
by: McCluskey, Andrew R., et al.
Published: (2023)
by: McCluskey, Andrew R., et al.
Published: (2023)
How accurate are simulations and experiments for the lattice energies of molecular crystals?
by: Della Pia, Flaviano, et al.
Published: (2024)
by: Della Pia, Flaviano, et al.
Published: (2024)
Radial gradient of superionic hydrogen in Earth's inner core
by: Wu, Zepeng, et al.
Published: (2026)
by: Wu, Zepeng, et al.
Published: (2026)
Cooperative CO$_2$ capture via oxalate formation on metal-decorated graphene
by: Popoola, Inioluwa Christianah, et al.
Published: (2024)
by: Popoola, Inioluwa Christianah, et al.
Published: (2024)
Vibrational Spectra of Materials and Molecules from Partially-Adiabatic Elevated-Temperature Centroid Molecular Dynamics
by: Castro, Jorge, et al.
Published: (2025)
by: Castro, Jorge, et al.
Published: (2025)
Origin of superionic state in Earth's inner core
by: Park, Ina, et al.
Published: (2023)
by: Park, Ina, et al.
Published: (2023)
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water
by: O'Neill, Niamh, et al.
Published: (2025)
by: O'Neill, Niamh, et al.
Published: (2025)
Modeling the structural and thermal properties of loaded metal-organic frameworks. An interplay of quantum and anharmonic fluctuations
by: Kapil, Venkat, et al.
Published: (2019)
by: Kapil, Venkat, et al.
Published: (2019)
Defect-Dependent Corrugation in Graphene
by: Thiemann, Fabian L., et al.
Published: (2021)
by: Thiemann, Fabian L., et al.
Published: (2021)
Entropy governs the structure and reactivity of water dissociation under electric fields
by: Litman, Yair, et al.
Published: (2025)
by: Litman, Yair, et al.
Published: (2025)
AI/ML-Driven Surface Plasmon Resonance (SPR) and Spectroscopy: Materials Interfaces and Autonomous Experiments
by: Advincula, Rigoberto, et al.
Published: (2026)
by: Advincula, Rigoberto, et al.
Published: (2026)
Incipient ionic conductors: Ion-constrained lattices achieving superionic-like thermal conductivity by extreme anharmonicity
by: Li, Yongheng, et al.
Published: (2025)
by: Li, Yongheng, et al.
Published: (2025)
Similar Items
-
Quasi-one-dimensional hydrogen bonding in nanoconfined ice
by: Ravindra, Pavan, et al.
Published: (2023) -
Nanoconfined superionic water is a molecular superionic
by: Coles, Samuel W., et al.
Published: (2025) -
The first-principles phase diagram of monolayer nanoconfined water
by: Kapil, Venkat, et al.
Published: (2021) -
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
by: Kaur, Harveen, et al.
Published: (2024) -
The Wetting of H$_2$O by CO$_2$
by: Brookes, Samuel G. H., et al.
Published: (2024)