Saved in:
| Main Authors: | van Hees, Alicia, Zhang, Zhan-Yun, Sudhama, Aishwarya, Zhang, Chao |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2406.00468 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Unraveling Antagonistic Collision-Controlled Reactivity in Energetic Molecular Perovskites with Deep Potential Molecular Dynamics
by: Guo, Ming-Yu, et al.
Published: (2025)
by: Guo, Ming-Yu, et al.
Published: (2025)
Molecular electrostatic potentials from machine learning models for dipole and quadrupole predictions
by: Muuga, Kadri, et al.
Published: (2026)
by: Muuga, Kadri, et al.
Published: (2026)
Visualizing Degradation in Anode-Free High-Utilization Aqueous Batteries Across Cell Lifetime
by: Catalina, Sofia K., et al.
Published: (2026)
by: Catalina, Sofia K., et al.
Published: (2026)
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)
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)
Electric Double Layer at the Metal-Oxide/Electrolyte Interface
by: Knijff, Lisanne, et al.
Published: (2022)
by: Knijff, Lisanne, et al.
Published: (2022)
A Size-Dependent Ideal Solution Model for Liquid-Solid Phase Equilibria Prediction in Aqueous Organic Solutions
by: Alliston, Spencer P., et al.
Published: (2024)
by: Alliston, Spencer P., et al.
Published: (2024)
SEAMM: A Simulation Environment for Atomistic and Molecular Modeling
by: Saxe, Paul, et al.
Published: (2025)
by: Saxe, Paul, et al.
Published: (2025)
Shadow Molecular Dynamics for a Charge-Potential Equilibration Model
by: Stanton, Robert, et al.
Published: (2025)
by: Stanton, Robert, et al.
Published: (2025)
Universal rapid machine learning models for predicting unconvoluted and convoluted X-ray Absorption Spectra
by: Zhan, Fei, et al.
Published: (2026)
by: Zhan, Fei, et al.
Published: (2026)
Machine-Learning-Accelerated Surface Exploration of Reconstructed BiVO$_{4}$(010) and Characterization of Their Aqueous Interfaces
by: Lee, Yonghyuk, et al.
Published: (2024)
by: Lee, Yonghyuk, 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)
A Comprehensive Computational Framework for Materials Design, Ab Initio Modeling, and Molecular Docking
by: Akanda, Md Rakibul Karim, et al.
Published: (2026)
by: Akanda, Md Rakibul Karim, et al.
Published: (2026)
A Bond-Based Machine Learning Model for Molecular Polarizabilities and A Priori Raman Spectra
by: Sowa, Jakub K., et al.
Published: (2024)
by: Sowa, Jakub K., et al.
Published: (2024)
Hydroxide Mobility in Aqueous Systems: Ab Initio Accuracy with Millisecond Timescales
by: Hänseroth, Jonas, et al.
Published: (2025)
by: Hänseroth, Jonas, et al.
Published: (2025)
Elucidating Ion Capture and Transport Mechanisms of Preyssler Anions in Aqueous Solutions Using Biased MACE-Accelerated MD Simulations
by: Adewuyi, Quadri O., et al.
Published: (2025)
by: Adewuyi, Quadri O., et al.
Published: (2025)
ADEPT-PolyGraphMT: Automated Molecular Simulation and Multi-Task Multi-Fidelity Machine Learning for Polymer Property Generation and Prediction
by: Alosious, Sobin, et al.
Published: (2026)
by: Alosious, Sobin, et al.
Published: (2026)
Third-Body Stabilization of Supercritical CO2 in CO Oxidation: Development and Application of a ReaxFF Force Field for the CO/O/CO2 System
by: Chowdhury, Emdadul Haque, et al.
Published: (2025)
by: Chowdhury, Emdadul Haque, et al.
Published: (2025)
Linking Calendar and Cycle Ageing in Lithium-Ion Batteries through Consistent Parameterisation of an Electrochemical-Thermal-Degradation Model
by: Madabattula, Ganesh
Published: (2026)
by: Madabattula, Ganesh
Published: (2026)
Unveiling the spontaneous conversion of layered MAX phases to 2D MXenes
by: Hu, Tao, et al.
Published: (2022)
by: Hu, Tao, et al.
Published: (2022)
From Local Atomic Environments to Molecular Information Entropy
by: Croy, Alexander
Published: (2024)
by: Croy, Alexander
Published: (2024)
Enhancing Spin Coherence of Optically-Addressed Molecular Qubit by Nuclear Spin Hyperpolarization
by: Li, Boning, et al.
Published: (2026)
by: Li, Boning, et al.
Published: (2026)
Molecular-Resolution Imaging of Ice Crystallized from Liquid Water
by: Du, Jingshan S., et al.
Published: (2024)
by: Du, Jingshan S., et al.
Published: (2024)
Simple Hückel Molecular Orbital Theory for Möbius Carbon Nanobelts
by: Wang, Yang
Published: (2024)
by: Wang, Yang
Published: (2024)
Multimer Embedding for Molecular Crystals Utilizing up to Tetramer Interactions
by: List, Alexander, et al.
Published: (2025)
by: List, Alexander, et al.
Published: (2025)
Molecular structure, binding, and disorder in TDBC-Ag plexcitonic assemblies
by: Baños-Gutiérrez, J., et al.
Published: (2026)
by: Baños-Gutiérrez, J., et al.
Published: (2026)
Toward Unified Interphase Engineering: The Solid-Electrolyte Interphase in Batteries and Supercapacitors
by: Hasan, Mehedi, et al.
Published: (2025)
by: Hasan, Mehedi, 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)
A Computational Study of Organic Molecular Crystals for Photocatalytic Water Splitting
by: Green, James D., et al.
Published: (2026)
by: Green, James D., et al.
Published: (2026)
Machine Learning and Molecular Simulations Reveal Mechanisms of ZIFs Polymorph Selection
by: Méndez, Emilio, et al.
Published: (2026)
by: Méndez, Emilio, et al.
Published: (2026)
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)
Review of the Electrochemical Double Layer Theory and Its Applications in Battery Electrode Materials
by: He, Yitao
Published: (2025)
by: He, Yitao
Published: (2025)
Dynamic Training Enhances Machine Learning Potentials for Long-Lasting Molecular Dynamics
by: Žugec, Ivan, et al.
Published: (2025)
by: Žugec, Ivan, et al.
Published: (2025)
A Relationship between the Molecular Parity-Violation Energy and the Electronic Chirality Measure
by: Aucar, Juan J., et al.
Published: (2026)
by: Aucar, Juan J., et al.
Published: (2026)
Automatic Identification of Compounds in Molecular Mixtures from Liquid-Phase Infrared Spectra
by: Melle, Yannah J. U., et al.
Published: (2026)
by: Melle, Yannah J. U., et al.
Published: (2026)
INN-FF: A Scalable and Efficient Machine Learning Potential for Molecular Dynamics
by: Mehereen, Taskin, et al.
Published: (2025)
by: Mehereen, Taskin, et al.
Published: (2025)
Molecular-based coordination polymer as reversible and precise acetonitrile electro-optical readout
by: Resines-Urien, Esther, et al.
Published: (2026)
by: Resines-Urien, Esther, 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)
Deciphering the role of LiBr as redox mediator in Li-O2 Aprotic Batteries
by: Petrongari, Angelica, et al.
Published: (2025)
by: Petrongari, Angelica, et al.
Published: (2025)
A Molecular Perspective of Exciton Condensation from Particle-hole Reduced Density Matrices
by: Torres, Lillian I. Payne, et al.
Published: (2024)
by: Torres, Lillian I. Payne, et al.
Published: (2024)
Similar Items
-
Unraveling Antagonistic Collision-Controlled Reactivity in Energetic Molecular Perovskites with Deep Potential Molecular Dynamics
by: Guo, Ming-Yu, et al.
Published: (2025) -
Molecular electrostatic potentials from machine learning models for dipole and quadrupole predictions
by: Muuga, Kadri, et al.
Published: (2026) -
Visualizing Degradation in Anode-Free High-Utilization Aqueous Batteries Across Cell Lifetime
by: Catalina, Sofia K., et al.
Published: (2026) -
Scalable Machine Learning Model for Energy Decomposition Analysis in Aqueous Systems
by: Tahmasbi, Hossein, 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)