Guardado en:
| Autores principales: | Yang, Huanhuan, Luo, Guangfu |
|---|---|
| Formato: | Preprint |
| Publicado: |
2025
|
| Materias: | |
| Acceso en línea: | https://arxiv.org/abs/2510.04922 |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Stabilizing Single-Atom Catalysts on Metastable Phases of Transition Metal Dichalcogenides
por: Wang, Lina, et al.
Publicado: (2025)
por: Wang, Lina, et al.
Publicado: (2025)
Exploration of Zeolites as High-Performance Electrode Protective Layers for Alkali-Metal Batteries
por: Wang, Lina, et al.
Publicado: (2025)
por: Wang, Lina, et al.
Publicado: (2025)
Stability by Design: Atomistic Insights into Hydrolysis-Driven MOF Degradation
por: Yacham, Ashok, et al.
Publicado: (2025)
por: Yacham, Ashok, et al.
Publicado: (2025)
Designing Bimetallic Nanoparticle Catalysts via Tailored Surface Segregation
por: Tang, Yaxin, et al.
Publicado: (2025)
por: Tang, Yaxin, et al.
Publicado: (2025)
Platinum-based Catalysts for Oxygen Reduction Reaction simulated with a Quantum Computer
por: Di Paola, Cono, et al.
Publicado: (2023)
por: Di Paola, Cono, et al.
Publicado: (2023)
Harnessing Zn-Volatility for Compositional Tuning in PtZn Nanoalloy Catalysts
por: Yao, Bingqing, et al.
Publicado: (2024)
por: Yao, Bingqing, et al.
Publicado: (2024)
Oxygen Reduction Reaction on Single-Atom Catalysts From Density Functional Theory Calculations Combined with an Implicit Solvation Model
por: Abidin, Azim Fitri Zainul, et al.
Publicado: (2024)
por: Abidin, Azim Fitri Zainul, et al.
Publicado: (2024)
Challenges in the Theory and Atomistic Simulation of Metal Electrodeposition
por: Chaudhuri, Shayantan, et al.
Publicado: (2024)
por: Chaudhuri, Shayantan, et al.
Publicado: (2024)
Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations
por: Pols, Mike, et al.
Publicado: (2023)
por: Pols, Mike, et al.
Publicado: (2023)
Generalized Representative Structures for Atomistic Systems
por: Goff, James M., et al.
Publicado: (2024)
por: Goff, James M., et al.
Publicado: (2024)
Covalent Dangling of Poly‐Indium‐Phthalocyanine Over Carbon Nanopits as Superior Oxygen Reduction Catalyst for Flexible Zn‐Air Battery
por: Linjie Zhang, et al.
Publicado: (2025)
por: Linjie Zhang, et al.
Publicado: (2025)
Identifying the Catalytic Descriptor of Single-Atom Catalysts in Nitrate Reduction Reaction: An Interpretable Machine-Learning Method
por: Zhu, Zhen, et al.
Publicado: (2025)
por: Zhu, Zhen, et al.
Publicado: (2025)
Atomistic-informed phase field modeling of magnesium twin growth by disconnections
por: Hu, Yang, et al.
Publicado: (2024)
por: Hu, Yang, et al.
Publicado: (2024)
Harnessing AtomisticSkills for Agentic Atomistic Research
por: Deng, Bowen, et al.
Publicado: (2026)
por: Deng, Bowen, et al.
Publicado: (2026)
Predicting Atomistic Transitions with Transformers
por: Tischler, Henry, et al.
Publicado: (2026)
por: Tischler, Henry, et al.
Publicado: (2026)
Atomistic Modeling of Martensitic Phase Transition in Hexamethylbenzene
por: Fahim, Zarif, et al.
Publicado: (2025)
por: Fahim, Zarif, et al.
Publicado: (2025)
Uncertainty Quantification and Propagation in Atomistic Machine Learning
por: Dai, Jin, et al.
Publicado: (2024)
por: Dai, Jin, et al.
Publicado: (2024)
Spin Dynamics from Atomistic Quantum Simulations
por: Drigo, Enrico, et al.
Publicado: (2026)
por: Drigo, Enrico, et al.
Publicado: (2026)
Neural Network-Driven Molecular Insights into Alkaline Wet Etching of GaN: Toward Atomistic Precision in Nanostructure Fabrication
por: Kim, Purun-hanul, et al.
Publicado: (2025)
por: Kim, Purun-hanul, et al.
Publicado: (2025)
Spin‐State Engineering of Iron Phthalocyanine D‐Orbitals via Atomic Fe‐N 4 Coupling for Enhanced Oxygen Reduction Reaction
por: Ze Lv, et al.
Publicado: (2025)
por: Ze Lv, et al.
Publicado: (2025)
Atomistic study of dislocation formation during Ge epitaxy on Si
por: Martín-Encinar, Luis, et al.
Publicado: (2025)
por: Martín-Encinar, Luis, et al.
Publicado: (2025)
Cascade Hydrogen Peroxide Reduction Reaction Endows Cu‐Fe Dual‐Atom Catalyst with Durable Oxygen Reduction Performance
por: Chenhong Liu, et al.
Publicado: (2025)
por: Chenhong Liu, et al.
Publicado: (2025)
Nucleation suppression by charge screening on grain boundaries: a kinetic model for bulk imprint in polycrystalline ferroelectric thin films
por: Tian, Huanhuan, et al.
Publicado: (2025)
por: Tian, Huanhuan, et al.
Publicado: (2025)
Intrinsic threshold electric field for domain wall motion in ferroelectrics based on discretized phase-field model
por: Tian, Huanhuan, et al.
Publicado: (2024)
por: Tian, Huanhuan, et al.
Publicado: (2024)
Atomistic theory of the phonon angular momentum Hall effect
por: Lopez, Daniel A. Bustamante, et al.
Publicado: (2026)
por: Lopez, Daniel A. Bustamante, et al.
Publicado: (2026)
Ferredoxin‐Inspired Design of S‐Synergized Fe–Fe Dual‐Metal Center Catalysts for Enhanced Electrocatalytic Oxygen Reduction Reaction
por: Ming Liu, et al.
Publicado: (2024)
por: Ming Liu, et al.
Publicado: (2024)
Device-Scale Atomistic Simulations of Heat Transport in Advanced Field-Effect Transistors
por: Xu, Ke, et al.
Publicado: (2025)
por: Xu, Ke, et al.
Publicado: (2025)
Molecular Arrangements in the First Monolayer of Cu-Phthalocyanine on In$_2$O$_3$(111)
por: Blatnik, Matthias, et al.
Publicado: (2025)
por: Blatnik, Matthias, et al.
Publicado: (2025)
Spontaneous Donor Defects and Voltage-Assisted Hole Doping in Beta-Gallium Oxides under Multiple Epitaxy Conditions
por: Nie, Chenxi, et al.
Publicado: (2025)
por: Nie, Chenxi, et al.
Publicado: (2025)
Atomistically informed phase field study of austenite grain growth
por: Suhane, Ayush, et al.
Publicado: (2025)
por: Suhane, Ayush, et al.
Publicado: (2025)
Stochastic Modeling of Anisotropic Strength Surfaces from Atomistic Simulations
por: Bonacci, Alexander, et al.
Publicado: (2026)
por: Bonacci, Alexander, et al.
Publicado: (2026)
Uncertainty Quantification in Atomistic Simulations of Silicon using Interatomic Potentials
por: Best, I. R., et al.
Publicado: (2024)
por: Best, I. R., et al.
Publicado: (2024)
Mechanical Properties of Au Coated Si Nanowafer: an Atomistic Study
por: Nahian, Shahriar, et al.
Publicado: (2020)
por: Nahian, Shahriar, et al.
Publicado: (2020)
Atomistic modelling of all dislocations and twins in HCP and BCC Ti
por: Wen, Tongqi, et al.
Publicado: (2022)
por: Wen, Tongqi, et al.
Publicado: (2022)
Atomistic modeling of the hygromechanical properties of amorphous Polyamide 6,6
por: Gadelrab, Karim, et al.
Publicado: (2026)
por: Gadelrab, Karim, et al.
Publicado: (2026)
Bridging Atomistic and Continuum Descriptions of Nanoscale Dislocation Loops in Tungsten
por: Lopez, Joseph Duque, et al.
Publicado: (2026)
por: Lopez, Joseph Duque, et al.
Publicado: (2026)
Atomistic Insights into Cu/amorphous-Ta$_x$N Interfacial Adhesion via Machine Learning Interatomic Potentials: Effects of Stoichiometry and Interface Construction
por: Choi, Jeong Min, et al.
Publicado: (2025)
por: Choi, Jeong Min, et al.
Publicado: (2025)
Atomistic modeling of diffusion processes at Al(Si)/Si(111) interphase boundaries obtained by vapor deposition
por: Li, Yang, et al.
Publicado: (2024)
por: Li, Yang, et al.
Publicado: (2024)
LAMBench: A Benchmark for Large Atomistic Models
por: Peng, Anyang, et al.
Publicado: (2025)
por: Peng, Anyang, et al.
Publicado: (2025)
Thermal Conductivity Predictions with Foundation Atomistic Models
por: Póta, Balázs, et al.
Publicado: (2024)
por: Póta, Balázs, et al.
Publicado: (2024)
Ejemplares similares
-
Stabilizing Single-Atom Catalysts on Metastable Phases of Transition Metal Dichalcogenides
por: Wang, Lina, et al.
Publicado: (2025) -
Exploration of Zeolites as High-Performance Electrode Protective Layers for Alkali-Metal Batteries
por: Wang, Lina, et al.
Publicado: (2025) -
Stability by Design: Atomistic Insights into Hydrolysis-Driven MOF Degradation
por: Yacham, Ashok, et al.
Publicado: (2025) -
Designing Bimetallic Nanoparticle Catalysts via Tailored Surface Segregation
por: Tang, Yaxin, et al.
Publicado: (2025) -
Platinum-based Catalysts for Oxygen Reduction Reaction simulated with a Quantum Computer
por: Di Paola, Cono, et al.
Publicado: (2023)