Uncertainty Quantification in Multiscale Models of Charge Transport in Organic Semiconductors: Influence of the Exhange-Correlation Functional
Fuente:
arXiv
Enregistré dans:
| Auteurs principaux: | Chen, Zhongquan, van der Hoorn, Pim, Baumeier, Bjoern |
|---|---|
| Format: | Preprint |
| Publié: |
2025
|
| Sujets: | |
| Accès en ligne: | |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|
Documents similaires
Automatic Identification of Traps in Molecular Charge Transport Networks of Organic Semiconductors
par: Chen, Zhongquan, et autres
Publié: (2024)
par: Chen, Zhongquan, et autres
Publié: (2024)
A Graph Random Walk Method for Calculating Time-of-Flight Charge Mobility in Organic Semiconductors from Multiscale Simulations
par: Chen, Zhongquan, et autres
Publié: (2024)
par: Chen, Zhongquan, et autres
Publié: (2024)
Synergistic Interface Effects in Composite Dielectrics: Insights into Charge Trapping Regulation through Multiscale Modeling
par: Zhao, Haoxiang, et autres
Publié: (2024)
par: Zhao, Haoxiang, et autres
Publié: (2024)
Theoretical Study of Charge Transport Properties of Curved PAH Organic Semiconductors
par: Jin, Hengyu, et autres
Publié: (2025)
par: Jin, Hengyu, et autres
Publié: (2025)
Uncertainty Quantification in Multiscale Modeling of Polymer Composite Materials Using Physically Recurrent Neural Networks
par: Kovács, N., et autres
Publié: (2025)
par: Kovács, N., et autres
Publié: (2025)
Hall Transport in Organic Semiconductors
par: Panhans, Michel, et autres
Publié: (2024)
par: Panhans, Michel, et autres
Publié: (2024)
Effect of Halogen Substituents on Charge Transport Properties of n-type Organic Semiconductors: A Theoretical Study
par: Roosta, Sara, et autres
Publié: (2024)
par: Roosta, Sara, et autres
Publié: (2024)
Analysis and Uncertainty Quantification of Thermal Transport Measurements through Bayesian Parameter Estimation
par: Drew, Jeremy, et autres
Publié: (2025)
par: Drew, Jeremy, et autres
Publié: (2025)
Rethinking Charge Transport and Recombination in Donor-diluted Organic Solar Cells
par: Wang, Chen, et autres
Publié: (2026)
par: Wang, Chen, et autres
Publié: (2026)
Hierarchy of Exchange-Correlation Functionals in Computing Lattice Thermal Conductivities of Rocksalt and Zincblende Semiconductors
par: Wei, Jiacheng, et autres
Publié: (2024)
par: Wei, Jiacheng, et autres
Publié: (2024)
Influencing Optical and Charge Transport Properties by Controlling the Molecular Interactions of Merocyanine Thin Films
par: Böhner, Lukas, et autres
Publié: (2024)
par: Böhner, Lukas, et autres
Publié: (2024)
Uncertainty Quantification and Propagation in Atomistic Machine Learning
par: Dai, Jin, et autres
Publié: (2024)
par: Dai, Jin, et autres
Publié: (2024)
Band Structure Engineering in Highly Crystalline Organic Semiconductors
par: Wang, Shu-Jen, et autres
Publié: (2024)
par: Wang, Shu-Jen, et autres
Publié: (2024)
Scalable Crystal Structure Relaxation Using an Iteration-Free Deep Generative Model with Uncertainty Quantification
par: Yang, Ziduo, et autres
Publié: (2024)
par: Yang, Ziduo, et autres
Publié: (2024)
A Continuum Theory of Elastic Semiconductors with Consideration of Mobile Charge Inertia
par: Yang, Jiashi
Publié: (2024)
par: Yang, Jiashi
Publié: (2024)
Uncertainty Quantification for Misspecified Machine Learned Interatomic Potentials
par: Perez, Danny, et autres
Publié: (2025)
par: Perez, Danny, et autres
Publié: (2025)
Uncertainty Quantification in Atomistic Simulations of Silicon using Interatomic Potentials
par: Best, I. R., et autres
Publié: (2024)
par: Best, I. R., et autres
Publié: (2024)
Unifying Directed and Undirected Random Graph Models
par: van Santvoort, Mike, et autres
Publié: (2025)
par: van Santvoort, Mike, et autres
Publié: (2025)
First-principles Prediction of Carrier Mobility in Semiconductor Nanowires Based on the Spatially Dependent Boltzmann Transport Equation
par: He, Zirui, et autres
Publié: (2025)
par: He, Zirui, et autres
Publié: (2025)
Interplay Between Structural Defects and Charge Transport Dynamics in MA and FA Modified CsSnI3 Thin Film Semiconductors
par: Segal, Gleb V., et autres
Publié: (2025)
par: Segal, Gleb V., et autres
Publié: (2025)
Benchmarking GNNs for OOD Materials Property Prediction with Uncertainty Quantification
par: Tan, Liqin, et autres
Publié: (2025)
par: Tan, Liqin, et autres
Publié: (2025)
Using Dopants as Agents to Probe Key Electronic Properties of Organic Semiconductors
par: Fediai, Artem, et autres
Publié: (2025)
par: Fediai, Artem, et autres
Publié: (2025)
Probing Charge Dynamics in Amorphous Oxide Semiconductors by Time-of-flight Microwave Impedance Microscopy
par: Yu, Jia, et autres
Publié: (2024)
par: Yu, Jia, et autres
Publié: (2024)
Thermodynamic Modeling of Pure Elements from 0 K with Uncertainty Quantification using PyCalphad and ESPEI
par: Richter, Alexander, et autres
Publié: (2026)
par: Richter, Alexander, et autres
Publié: (2026)
Multiscale Models For Perovskite Optimisation
par: Baranek, Philippe, et autres
Publié: (2025)
par: Baranek, Philippe, et autres
Publié: (2025)
Physical Basis for Band Transport and Dimensionality in Amorphous Oxide Semiconductor Field-Effect Transistors
par: Dodabalapur, Ananth, et autres
Publié: (2026)
par: Dodabalapur, Ananth, et autres
Publié: (2026)
Enhancement of Spontaneous Orientation Polarization in Organic Semiconductor Mixtures
par: Hofmann, Alexander, et autres
Publié: (2024)
par: Hofmann, Alexander, et autres
Publié: (2024)
Robust Dipolar Layers between Organic Semiconductors and Silver for Energy-Level Alignment
par: Krajňák, Tomáš, et autres
Publié: (2023)
par: Krajňák, Tomáš, et autres
Publié: (2023)
Functionalized Cr$_2$C MXenes: Novel Magnetic Semiconductors
par: Limbu, Yogendra, et autres
Publié: (2025)
par: Limbu, Yogendra, et autres
Publié: (2025)
Anisotropic Phonon Dynamics and Directional Transport in Actinide van der Waals Semiconductor USe$_3$
par: Söll, Aljoscha, et autres
Publié: (2025)
par: Söll, Aljoscha, et autres
Publié: (2025)
Multiscale Coupled Polarization and BKT Transitions in Tow-Dimensional Hybrid Organic-Inorganic Perovskites
par: Wu, Weijie, et autres
Publié: (2025)
par: Wu, Weijie, et autres
Publié: (2025)
Model Accuracy and Data Heterogeneity Shape Uncertainty Quantification in Machine Learning Interatomic Potentials
par: Shuang, Fei, et autres
Publié: (2025)
par: Shuang, Fei, et autres
Publié: (2025)
Probing Out‐Of‐Plane Charge Transport in Organic Semiconductors Using Conductive Atomic Force Microscopy
par: Mindaugas Gicevičius, et autres
Publié: (2024)
par: Mindaugas Gicevičius, et autres
Publié: (2024)
Control of Spontaneous Orientation Polarization in Organic Semiconductors: The Role of Molecular Structure and Film Growth Conditions
par: Cakaj, Albin, et autres
Publié: (2025)
par: Cakaj, Albin, et autres
Publié: (2025)
Engineering a Correlated Narrow-Gap Semiconductor: Effects of Ga Substitution in EuZn$_2$P$_2$
par: Dutra, M., et autres
Publié: (2025)
par: Dutra, M., et autres
Publié: (2025)
Controlling Spontaneous Orientation Polarization in Organic Semiconductors -- The Case of Phosphine Oxides
par: Cakaj, Albin, et autres
Publié: (2023)
par: Cakaj, Albin, et autres
Publié: (2023)
Synthesizability Prediction of Crystalline Structures with a Hierarchical Transformer and Uncertainty Quantification
par: Ebrahimzadeh, Danial, et autres
Publié: (2025)
par: Ebrahimzadeh, Danial, et autres
Publié: (2025)
Light-Emitting Diodes with Micrometer-Thick Perovskite Charge Transport Layers
par: Chin, Sang-Hyun
Publié: (2026)
par: Chin, Sang-Hyun
Publié: (2026)
Influence of Charge Density Waves on the Hall coefficient in NiTi
par: Braun, Adrian, et autres
Publié: (2026)
par: Braun, Adrian, et autres
Publié: (2026)
Semiconductor-compatible topological digital alloys
par: Liang, Yunfan, et autres
Publié: (2025)
par: Liang, Yunfan, et autres
Publié: (2025)
Documents similaires
-
Automatic Identification of Traps in Molecular Charge Transport Networks of Organic Semiconductors
par: Chen, Zhongquan, et autres
Publié: (2024) -
A Graph Random Walk Method for Calculating Time-of-Flight Charge Mobility in Organic Semiconductors from Multiscale Simulations
par: Chen, Zhongquan, et autres
Publié: (2024) -
Synergistic Interface Effects in Composite Dielectrics: Insights into Charge Trapping Regulation through Multiscale Modeling
par: Zhao, Haoxiang, et autres
Publié: (2024) -
Theoretical Study of Charge Transport Properties of Curved PAH Organic Semiconductors
par: Jin, Hengyu, et autres
Publié: (2025) -
Uncertainty Quantification in Multiscale Modeling of Polymer Composite Materials Using Physically Recurrent Neural Networks
par: Kovács, N., et autres
Publié: (2025)