Predicting Spin-Crossover Behavior in Metal-Organic Frameworks from Limited and Noisy Data Using Quantile Active Learning
Fuente:
arXiv
Saved in:
| Main Authors: | Jose, Ashna, Devijver, Emilie, Uhrin, Martin, Jakse, Noel, Poloni, Roberta |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Classification Tree-based Active Learning: A Wrapper Approach
by: Jose, Ashna, et al.
Published: (2024)
by: Jose, Ashna, et al.
Published: (2024)
Homogeneous Nucleation of Undercooled Al-Ni melts via a Machine-Learned Interaction Potential
by: Sandberg, Johannes, et al.
Published: (2024)
by: Sandberg, Johannes, et al.
Published: (2024)
Crystal Nucleation in Eutectic Al-Si Alloys by Machine-Learned Molecular Dynamics
by: Bizot, Quentin, et al.
Published: (2025)
by: Bizot, Quentin, et al.
Published: (2025)
Impact of local structure on melt dynamics in Cu-Ti alloys: Insights from ab-initio molecular dynamics simulations
by: Kreuzer, Lucas P., et al.
Published: (2024)
by: Kreuzer, Lucas P., et al.
Published: (2024)
Electrical Sensing of Molecular Spin State Switching in a Spin Crossover Complex Using an Organic Field‐Effect Transistor
by: Yuteng Zhang, et al.
Published: (2024)
by: Yuteng Zhang, et al.
Published: (2024)
Quantum-Accurate Machine Learning Potentials for Metal-Organic Frameworks using Temperature Driven Active Learning
by: Sharma, Abhishek, et al.
Published: (2024)
by: Sharma, Abhishek, et al.
Published: (2024)
Redox‐Active Metal‐Covalent Organic Frameworks for Dendrite‐Free Lithium Metal Batteries
by: Wenliang Qin, et al.
Published: (2025)
by: Wenliang Qin, et al.
Published: (2025)
Deep Learning for GWP Prediction: A Framework Using PCA, Quantile Transformation, and Ensemble Modeling
by: Rajapriya, Navin, et al.
Published: (2024)
by: Rajapriya, Navin, et al.
Published: (2024)
A Multiferroic Spin‐Crossover Molecular Crystal
by: Yong Ai, et al.
Published: (2024)
by: Yong Ai, et al.
Published: (2024)
Room‐Temperature Solid‐State Luminescence Switching via CO 2 Weak interaction in a Stable Europium Metal–Organic Framework (Adv. Funct. Mater. 46/2025)
by: Estefanía Fernández‐Bartolomé, et al.
Published: (2025)
by: Estefanía Fernández‐Bartolomé, et al.
Published: (2025)
Switchable Magnonic Crystals Based on Spin Crossover/CrSBr Heterostructures
by: Shumilin, Andrei, et al.
Published: (2025)
by: Shumilin, Andrei, et al.
Published: (2025)
Switchable Magnonic Crystals Based on Spin Crossover/CrSBr Heterostructures
by: Andrei Shumilin, et al.
Published: (2026)
by: Andrei Shumilin, et al.
Published: (2026)
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)
Spin Excitations of High Spin Iron(II) in Metal-Organic Chains on Metal and Superconductor
by: Liu, Jung-Ching, et al.
Published: (2024)
by: Liu, Jung-Ching, et al.
Published: (2024)
Magnetoresistance in the Extreme Quantum Limit: Field-Induced Crossover to the Unitarity Limit
by: Tago, Shuto, et al.
Published: (2025)
by: Tago, Shuto, et al.
Published: (2025)
Machine Learning Based Prediction of Proton Conductivity in Metal-Organic Frameworks
by: Han, Seunghee, et al.
Published: (2024)
by: Han, Seunghee, et al.
Published: (2024)
Altermagnetic Metal-Organic Frameworks
by: López-Alcalá, Diego, et al.
Published: (2026)
by: López-Alcalá, Diego, et al.
Published: (2026)
Unveiling Spin Transition at Single Particle Level in Levitating Spin Crossover Nanoparticles
by: Pinilla-Cienfuegos, Elena, et al.
Published: (2025)
by: Pinilla-Cienfuegos, Elena, et al.
Published: (2025)
Photoinduced Spin Centers in Photocatalytic Metal-Organic Framework UiO-66
by: Kultaeva, Anastasiia, et al.
Published: (2024)
by: Kultaeva, Anastasiia, et al.
Published: (2024)
Diffusion in liquid metals is directed by competing collective modes
by: Demmel, Franz, et al.
Published: (2024)
by: Demmel, Franz, et al.
Published: (2024)
MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
by: Kim, Nayoung, et al.
Published: (2024)
by: Kim, Nayoung, et al.
Published: (2024)
On‐the‐Fly Synthesis of Freestanding Spin‐Crossover Architectures With Tunable Magnetic Properties
by: Anh Tuan Ngo, et al.
Published: (2025)
by: Anh Tuan Ngo, et al.
Published: (2025)
Multimodal Transformer for Sample-Aware Prediction of Metal-Organic Framework Properties
by: Han, Seunghee, et al.
Published: (2026)
by: Han, Seunghee, et al.
Published: (2026)
Monitoring Acetone with Photoacoustic Spectroscopy Using a Metal–Organic Framework
by: Yan Huang, et al.
Published: (2024)
by: Yan Huang, et al.
Published: (2024)
Investigations of Metal-Organic structures for applications in Organic Spin Valve devices
by: Kaushik, Sonia, et al.
Published: (2025)
by: Kaushik, Sonia, et al.
Published: (2025)
SCMD: A Kernel-Based Distance for Structural Causal Models to Quantify Transferability Across Environments
by: Goff, Théotime Le, et al.
Published: (2025)
by: Goff, Théotime Le, et al.
Published: (2025)
Thermo‐Optical Switches Based on Spin‐Crossover Molecules with Wideband Transparency
by: Lijun Zhang, et al.
Published: (2024)
by: Lijun Zhang, et al.
Published: (2024)
Category-Specific Topological Learning of Metal-Organic Frameworks
by: Chen, Dong, et al.
Published: (2024)
by: Chen, Dong, et al.
Published: (2024)
Chemical Engineering of Altermagnetism in Two-Dimensional Metal-Organic Frameworks
by: López-Alcalá, Diego, et al.
Published: (2025)
by: López-Alcalá, Diego, et al.
Published: (2025)
Investigation of the Electronic Structure and Spin-State Crossover in LaCoO3 Using Photoemission Spectroscopy
by: Ghatak, Sayari, et al.
Published: (2026)
by: Ghatak, Sayari, et al.
Published: (2026)
Predicting Scale-Up of Metal-Organic Framework Syntheses with Large Language Models
by: Walther, Peter, et al.
Published: (2026)
by: Walther, Peter, et al.
Published: (2026)
Machine learning Hubbard parameters with equivariant neural networks
by: Uhrin, Martin, et al.
Published: (2024)
by: Uhrin, Martin, et al.
Published: (2024)
Spin‐Crossover Confinement in Mesoporous Matrices Enables Tunable Porosity for Molecular Sensing
by: Lucia B. Pizarro, et al.
Published: (2026)
by: Lucia B. Pizarro, et al.
Published: (2026)
Ultrathin Mesoporous Metal‐Organic Framework Nanosheets
by: Yingji Zhao, et al.
Published: (2025)
by: Yingji Zhao, et al.
Published: (2025)
Supramolecular Chemistry in Metal–Organic Framework Materials
by: Eugenia Miguel‐Casañ, et al.
Published: (2025)
by: Eugenia Miguel‐Casañ, et al.
Published: (2025)
Stimuli‐Responsive Low‐Frequency Terahertz Absorption ON‐OFF Switchability in Spin‐Crossover Material
by: Guanping Li, et al.
Published: (2025)
by: Guanping Li, et al.
Published: (2025)
Reproducible container solutions for codes and workflows in materials science
by: Bissuel, Dylan, et al.
Published: (2025)
by: Bissuel, Dylan, et al.
Published: (2025)
Mechanochemistry for Metal–Organic Frameworks and Covalent–Organic Frameworks (MOFs, COFs): Methods, Materials, and Mechanisms
by: Joseph M. Marrett, et al.
Published: (2025)
by: Joseph M. Marrett, et al.
Published: (2025)
Enhancing Spatial Reasoning in Large Language Models for Metal-Organic Frameworks Structure Prediction
by: Pan, Mianzhi, et al.
Published: (2026)
by: Pan, Mianzhi, et al.
Published: (2026)
2D Conductive Metal–Organic Framework with Anthraquinone Built‐In Active Sites as Cathode for Aqueous Zinc Ion Battery
by: Jingjuan Liu, et al.
Published: (2024)
by: Jingjuan Liu, et al.
Published: (2024)
Similar Items
-
Classification Tree-based Active Learning: A Wrapper Approach
by: Jose, Ashna, et al.
Published: (2024) -
Homogeneous Nucleation of Undercooled Al-Ni melts via a Machine-Learned Interaction Potential
by: Sandberg, Johannes, et al.
Published: (2024) -
Crystal Nucleation in Eutectic Al-Si Alloys by Machine-Learned Molecular Dynamics
by: Bizot, Quentin, et al.
Published: (2025) -
Impact of local structure on melt dynamics in Cu-Ti alloys: Insights from ab-initio molecular dynamics simulations
by: Kreuzer, Lucas P., et al.
Published: (2024) -
Electrical Sensing of Molecular Spin State Switching in a Spin Crossover Complex Using an Organic Field‐Effect Transistor
by: Yuteng Zhang, et al.
Published: (2024)