Saved in:
| Main Authors: | Loiseau, Jason, Rosero, Sebastian Rodriguez, Poroshyna, Yaroslava, Lau-Chapdelaine, S. She-Ming |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2509.16227 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Noise Reduction of Stochastic Density Functional Theory for Metals
by: Vu, Jake P., et al.
Published: (2024)
by: Vu, Jake P., et al.
Published: (2024)
A Fast Analytical Model for Predicting Battery Performance Under Mixed Kinetic Control
by: Wang, Hongxuan, et al.
Published: (2024)
by: Wang, Hongxuan, et al.
Published: (2024)
Scalable Machine Learning Model for Energy Decomposition Analysis in Aqueous Systems
by: Tahmasbi, Hossein, et al.
Published: (2025)
by: Tahmasbi, Hossein, et al.
Published: (2025)
Uncertainty and Exploration of Deep Learning-based Atomistic Models for Screening Molten Salt Properties and Compositions
by: Lam, Stephen T., et al.
Published: (2024)
by: Lam, Stephen T., et al.
Published: (2024)
Solid Solubility in Metallic Hydrogen
by: Seeyangnok, Jakkapat, et al.
Published: (2024)
by: Seeyangnok, Jakkapat, et al.
Published: (2024)
Understanding How Synthetic Impurities Affect Glyphosate Solubility and Crystal Growth Using Free Energy Calculations and Molecular Dynamics Simulations
by: Castro, Alejandro, et al.
Published: (2025)
by: Castro, Alejandro, et al.
Published: (2025)
Lead Free Perovskites
by: Ming, May
Published: (2024)
by: Ming, May
Published: (2024)
Reference Vertical Excitation Energies for Transition Metal Compounds
by: Jacquemin, Denis, et al.
Published: (2023)
by: Jacquemin, Denis, et al.
Published: (2023)
Reactive Coarse Grained Force Field for Metal-Organic Frameworks applied to Modeling ZIF-8 Self-Assembly
by: Mondal, Sangita, et al.
Published: (2026)
by: Mondal, Sangita, et al.
Published: (2026)
Correlative 3D Mapping of Structure, Composition, and Valence State Dynamics in Battery Cathodes via Simultaneous ADF-EDS-EELS Tomography
by: Oh, Jaewhan, et al.
Published: (2025)
by: Oh, Jaewhan, et al.
Published: (2025)
Boron Clusters for Metal-Free Water Splitting
by: Fujioka, Masaya, et al.
Published: (2025)
by: Fujioka, Masaya, et al.
Published: (2025)
Nanocrystals Heterostructures based on Halide Perovskites and Metal Sulfides
by: Livakas, Nikolaos, et al.
Published: (2025)
by: Livakas, Nikolaos, et al.
Published: (2025)
Robust Chemiresistive Behavior in Conductive Polymer/MOF Composites
by: Roh, Heejung, et al.
Published: (2024)
by: Roh, Heejung, et al.
Published: (2024)
Electric Double Layer at the Metal-Oxide/Electrolyte Interface
by: Knijff, Lisanne, et al.
Published: (2022)
by: Knijff, Lisanne, et al.
Published: (2022)
Periodic Local Coupled-Cluster Theory for Insulators and Metals
by: Ye, Hong-Zhou, et al.
Published: (2024)
by: Ye, Hong-Zhou, et al.
Published: (2024)
Ground-States for Metals from Converged Coupled Cluster Calculations
by: Schäfer, Tobias
Published: (2024)
by: Schäfer, Tobias
Published: (2024)
Fundamental Limits of Dissociative Electrochemical Ammonia Synthesis via Electrodeposited Metals
by: Azumah, Victor, et al.
Published: (2025)
by: Azumah, Victor, et al.
Published: (2025)
Impact of Metal Cation on Chiral Properties of 2D Halide Perovskites
by: Pols, Mike, et al.
Published: (2025)
by: Pols, Mike, et al.
Published: (2025)
Chemical Compositions of Soot Samples in Gold Electrode Capacitors: Molecular Simulations
by: Chaban, Vitaly V., et al.
Published: (2024)
by: Chaban, Vitaly V., et al.
Published: (2024)
Dissociative Electron Attachment on Metal Surfaces: The Case of HCl$^-$ on Au(111)
by: Moorby, Robin E., et al.
Published: (2024)
by: Moorby, Robin E., et al.
Published: (2024)
Modulation of Point Defect Properties Near Surfaces in Metal Halide Perovskites
by: Ahmad, Bilal, et al.
Published: (2024)
by: Ahmad, Bilal, et al.
Published: (2024)
Multiple Adsorption of CO Molecules on Transition Metal Substitutional Impurities in Copper Surfaces
by: Christiansen, Magnus A. H., et al.
Published: (2025)
by: Christiansen, Magnus A. H., et al.
Published: (2025)
Lithiation Analysis of Metal Components for Li-Ion Battery using Ion Beams
by: Galindo, Arturo, et al.
Published: (2025)
by: Galindo, Arturo, et al.
Published: (2025)
Demonstrating Electrochemical CO$_2$ Capture on Redox-Active Metal-Organic Frameworks
by: Vetik, Iuliia, et al.
Published: (2024)
by: Vetik, Iuliia, et al.
Published: (2024)
Bifunctional Noble Metal-free Ternary Chalcogenide Electrocatalysts for Overall Water Splitting
by: Singh, Shantanu, et al.
Published: (2024)
by: Singh, Shantanu, et al.
Published: (2024)
Machine Learned Potential for High-Throughput Phonon Calculations of Metal-Organic Frameworks
by: Elena, Alin Marin, et al.
Published: (2024)
by: Elena, Alin Marin, et al.
Published: (2024)
Sublayers Editing of Covalent MAX Phase for Nanolaminated Early Transition Metal Compounds
by: Li, Ziqian, et al.
Published: (2024)
by: Li, Ziqian, et al.
Published: (2024)
Rethinking cryptophane A for methane gas sensing: cross sensitivity to N2 and CO2 at ambient conditions
by: Alberti, Sebastián, et al.
Published: (2025)
by: Alberti, Sebastián, et al.
Published: (2025)
Efficient Computation of the Long-Range Exact Exchange using an Extended Screening Function
by: Kokott, Sebastian, et al.
Published: (2025)
by: Kokott, Sebastian, et al.
Published: (2025)
Modelling the photocatalytic oxidation of methane and other air pollutants for applications in ventilation systems
by: Tomlinson, Samuel D., et al.
Published: (2026)
by: Tomlinson, Samuel D., et al.
Published: (2026)
Determining Linker Ratios of Mixed Metal-Organic Frameworks via Magnetic Susceptibility Measurements
by: Du, Na, et al.
Published: (2025)
by: Du, Na, et al.
Published: (2025)
Topological Control of Transition Metal Networks for Reversible High-Capacity Li-rich Cathodes
by: Ke, Changming, et al.
Published: (2025)
by: Ke, Changming, et al.
Published: (2025)
Modeling the Behavior of Complex Aqueous Electrolytes Using Machine Learning Interatomic Potentials: The Case of Sodium Sulfate
by: Soyemi, Ademola, et al.
Published: (2025)
by: Soyemi, Ademola, et al.
Published: (2025)
Hunting Structural Demons in Digital Reticular Chemistry: Lessons from Metal-Organic Frameworks
by: Chung, Yongchul G., et al.
Published: (2026)
by: Chung, Yongchul G., et al.
Published: (2026)
On the Hidden Transient Interphase in Metal Anodes: Dynamic Precipitation Controls Electrochemical Interfaces in Batteries
by: Fuller, Stephen T., et al.
Published: (2024)
by: Fuller, Stephen T., et al.
Published: (2024)
Unifying Chemical and Electrochemical Thermodynamics of Electrodes
by: Yao, Archie Mingze, et al.
Published: (2025)
by: Yao, Archie Mingze, et al.
Published: (2025)
Influence of Crystal Structure and Composition on Optical and Electronic Properties of Pyridinium-based Bismuth Iodide Complexes
by: Abdi, Gisya, et al.
Published: (2025)
by: Abdi, Gisya, et al.
Published: (2025)
Machine Learning-Assisted Analysis of Combustion and Ignition in As-milled and Annealed Al/Zr Composite Powders
by: Flickinger, Michael R., et al.
Published: (2025)
by: Flickinger, Michael R., et al.
Published: (2025)
Magnetically Assisted Separation of Weakly Magnetic Metal Ions in Porous Media.Part 1: Experiments
by: Nwachukwu, Alwell, et al.
Published: (2025)
by: Nwachukwu, Alwell, et al.
Published: (2025)
Computer Simulation of the Growth of a Metal-Organic Framework Proto-crystal at Constant Chemical Potential
by: Gargari, Sahar Andarzi, et al.
Published: (2025)
by: Gargari, Sahar Andarzi, et al.
Published: (2025)
Similar Items
-
Noise Reduction of Stochastic Density Functional Theory for Metals
by: Vu, Jake P., et al.
Published: (2024) -
A Fast Analytical Model for Predicting Battery Performance Under Mixed Kinetic Control
by: Wang, Hongxuan, et al.
Published: (2024) -
Scalable Machine Learning Model for Energy Decomposition Analysis in Aqueous Systems
by: Tahmasbi, Hossein, et al.
Published: (2025) -
Uncertainty and Exploration of Deep Learning-based Atomistic Models for Screening Molten Salt Properties and Compositions
by: Lam, Stephen T., et al.
Published: (2024) -
Solid Solubility in Metallic Hydrogen
by: Seeyangnok, Jakkapat, et al.
Published: (2024)