Combining Molecular Dynamics and Experimental Methods for the Parametrization of Binary Carbonate-Based Electrolytes
Fuente:
arXiv
Saved in:
| Main Authors: | Lehnert, Lukas, Lorenz, Martin, Juarez, Maria Fernanda, Schammer, Max, Nojabaee, Maryam, Schönhoff, Monika, Horstmann, Birger |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Challenges in Measuring Transport Parameters of Carbonate-based Electrolytes
by: Lehnert, Lukas, et al.
Published: (2024)
by: Lehnert, Lukas, et al.
Published: (2024)
Challenges in Measuring Transport Parameters of Carbonate‐Based Electrolytes
by: Lukas Lehnert, et al.
Published: (2024)
by: Lukas Lehnert, et al.
Published: (2024)
Silicon Nanowires as Anodes for Lithium-Ion Batteries: Full Cell Modeling
by: Kilchert, Franziska, et al.
Published: (2024)
by: Kilchert, Franziska, et al.
Published: (2024)
Electro-Chemo-Mechanical Model for Polymer Electrolytes
by: Möhrle, Daniel O., et al.
Published: (2023)
by: Möhrle, Daniel O., et al.
Published: (2023)
Modeling the Influence of Solvation on the Electrochemical Double Layer of Salt / Solvent Mixtures
by: Schwetlick, Constantin, et al.
Published: (2024)
by: Schwetlick, Constantin, et al.
Published: (2024)
Voltage Hysteresis of Silicon Nanoparticles: Chemo-Mechanical Particle-SEI Model
by: Köbbing, Lukas, et al.
Published: (2023)
by: Köbbing, Lukas, et al.
Published: (2023)
Slow Voltage Relaxation of Silicon Nanoparticles with a Chemo-Mechanical Core-Shell Model
by: Köbbing, Lukas, et al.
Published: (2024)
by: Köbbing, Lukas, et al.
Published: (2024)
Stress-driven whisker formation in lithium metal batteries
by: Werres, Martin, et al.
Published: (2025)
by: Werres, Martin, et al.
Published: (2025)
Elliptical Silicon Nanowire Covered by the SEI in a 2D Chemo-Mechanical Simulation
by: Schoof, Raphael, et al.
Published: (2024)
by: Schoof, Raphael, et al.
Published: (2024)
Silicon Nanowires as Anodes for Lithium‐Ion Batteries: Full Cell Modeling
by: Franziska Kilchert, et al.
Published: (2024)
by: Franziska Kilchert, et al.
Published: (2024)
Integrating Molecular Dynamics Simulations and Experimental Data for Azeotrope Predictions in Binary Mixtures
by: Wang, Xiaoyu, et al.
Published: (2024)
by: Wang, Xiaoyu, et al.
Published: (2024)
Physics-based inverse modeling of battery degradation with Bayesian methods
by: Philipp, Micha C. J., et al.
Published: (2024)
by: Philipp, Micha C. J., et al.
Published: (2024)
Physics-based modeling of cyclic and calendar aging of LIBs with Si-Gr composite anodes
by: Philipp, Micha C. J., et al.
Published: (2026)
by: Philipp, Micha C. J., et al.
Published: (2026)
Modelling Intermediate-Current Transitions in Asymmetric-Valence Binary Electrolytes
by: Ryan, Georgina C., et al.
Published: (2026)
by: Ryan, Georgina C., et al.
Published: (2026)
Impact of Cavity on Molecular Ionization Spectra
by: Fábri, Csaba, et al.
Published: (2023)
by: Fábri, Csaba, et al.
Published: (2023)
Integrating Experiment with Theory to Determine the Structure of Electrode-Electrolyte Interfaces
by: Bonagiri, Lalith Krishna Samanth, et al.
Published: (2024)
by: Bonagiri, Lalith Krishna Samanth, et al.
Published: (2024)
Hybrid Atomistic-Parametric Decoherence Model for Molecular Spin Qubits
by: Aruachan, Katy, et al.
Published: (2025)
by: Aruachan, Katy, et al.
Published: (2025)
Nested State and Degradation Estimation of a Satellite Battery with In-flight Data
by: Bolay, Linda, et al.
Published: (2025)
by: Bolay, Linda, et al.
Published: (2025)
Cooperative molecular structure in polaritonic and dark states
by: Cederbaum, Lorenz S.
Published: (2021)
by: Cederbaum, Lorenz S.
Published: (2021)
A Roadmap for Simulating Chemical Dynamics on a Parametrically Driven Bosonic Quantum Device
by: Cabral, Delmar G. A., et al.
Published: (2024)
by: Cabral, Delmar G. A., et al.
Published: (2024)
Modelling and Simulation of an Alkaline Ni/Zn Cell
by: Schwab, Felix K., et al.
Published: (2025)
by: Schwab, Felix K., et al.
Published: (2025)
Topical Review: Extracting Molecular Frame Photoionization Dynamics from Experimental Data
by: Hockett, Paul, et al.
Published: (2022)
by: Hockett, Paul, et al.
Published: (2022)
Combination of Diosmetin With Chrysin Against Hepatocellular Carcinoma Through Inhibiting PI3K/AKT/mTOR/NF‐кB Signaling Pathway: TCGA Analysis, Molecular Docking, Molecular Dynamics, In Vitro Experiment
by: Xiang Yu, et al.
Published: (2024)
by: Xiang Yu, et al.
Published: (2024)
The Association of Zn$^{2+}$-SO$_4^{2-}$ and Mg$^{2+}$-SO$_4^{2-}$ in Aqueous MgSO$_4$/ZnSO$_4$ Hybrid Electrolytes: Insights from All-Atom Molecular Dynamics Simulations Molecular Dynamics Simulations
by: Dixit, Mayank, et al.
Published: (2024)
by: Dixit, Mayank, 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)
Semiclassical Nonadiabatic Molecular Dynamics for Molecular Exciton-Polaritons
by: Li, Xinyang, et al.
Published: (2024)
by: Li, Xinyang, et al.
Published: (2024)
Prediction and Experimental Verification of Electrolyte Solvation Structure from an OMol25-Trained Interatomic Potential
by: Kumar, Nitesh, et al.
Published: (2026)
by: Kumar, Nitesh, et al.
Published: (2026)
Topological Quantum Molecular Dynamics
by: Xie, Yujuan, et al.
Published: (2025)
by: Xie, Yujuan, et al.
Published: (2025)
GMTHRASHpy: Forward Convolutions of Crossed Molecular Beams Experiments in Python
by: Fujioka, Kazuumi, et al.
Published: (2025)
by: Fujioka, Kazuumi, et al.
Published: (2025)
Computational Study of Li+ Solvation Structures in Fluorinated Ether, Non-Fluorinated Ether, and Organic Carbonate-Based Electrolytes at Low and High Salt Concentrations
by: Hasan, Rumana, et al.
Published: (2025)
by: Hasan, Rumana, et al.
Published: (2025)
A Primary Unified Geometric Framework of Molecular Reaction Dynamics Based on the Variational Principle
by: Zhang, Xingyu, et al.
Published: (2026)
by: Zhang, Xingyu, et al.
Published: (2026)
Data-Driven Parametrization of Molecular Mechanics Force Fields for Expansive Chemical Space Coverage
by: Zheng, Tianze, et al.
Published: (2024)
by: Zheng, Tianze, et al.
Published: (2024)
SCN as a Local Probe of Protein Structural Dynamics
by: Aydin, Sena, et al.
Published: (2024)
by: Aydin, Sena, et al.
Published: (2024)
Structural and Dynamical Crossovers in Dense Electrolytes
by: Kim, Daehyeok, et al.
Published: (2025)
by: Kim, Daehyeok, et al.
Published: (2025)
Combination of the Perturbation Theory with Configuration Interaction Method
by: Kozlov, M. G., et al.
Published: (2022)
by: Kozlov, M. G., et al.
Published: (2022)
Binary Level Set Method for Variational Implicit Solvation Model
by: Zhang, Zirui, et al.
Published: (2021)
by: Zhang, Zirui, et al.
Published: (2021)
Field-driven Ion Pairing Dynamics in Concentrated Electrolytes
by: Moon, Seokjin, et al.
Published: (2026)
by: Moon, Seokjin, et al.
Published: (2026)
Transient Polarization and Dendrite Initiation Dynamics in Ceramic Electrolytes
by: Gopal, Rajeev, et al.
Published: (2021)
by: Gopal, Rajeev, et al.
Published: (2021)
The Molecular Quantum electro-Dynamics Research Group in Budapest
by: Matyus, Edit
Published: (2025)
by: Matyus, Edit
Published: (2025)
Revealing the Atomistic Mechanism of Rare Events in Molecular Dynamics
by: Kresse, Jakob J., et al.
Published: (2025)
by: Kresse, Jakob J., et al.
Published: (2025)
Similar Items
-
Challenges in Measuring Transport Parameters of Carbonate-based Electrolytes
by: Lehnert, Lukas, et al.
Published: (2024) -
Challenges in Measuring Transport Parameters of Carbonate‐Based Electrolytes
by: Lukas Lehnert, et al.
Published: (2024) -
Silicon Nanowires as Anodes for Lithium-Ion Batteries: Full Cell Modeling
by: Kilchert, Franziska, et al.
Published: (2024) -
Electro-Chemo-Mechanical Model for Polymer Electrolytes
by: Möhrle, Daniel O., et al.
Published: (2023) -
Modeling the Influence of Solvation on the Electrochemical Double Layer of Salt / Solvent Mixtures
by: Schwetlick, Constantin, et al.
Published: (2024)