COFAP: A Universal Framework for COFs Adsorption Prediction through Designed Multi-Modal Extraction and Cross-Modal Synergy
Fuente:
arXiv
Saved in:
| Main Authors: | Li, Zihan, Wan, Mingyang, Gao, Mingyu, Tai, Xishi, Chen, Zhongshan, Wang, Xiangke, Zhang, Feifan |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Universal Catalyst Design Framework for Electrochemical Hydrogen Peroxide Synthesis Facilitated by Local Atomic Environment Descriptors
by: Liu, Zhijian, et al.
Published: (2025)
by: Liu, Zhijian, et al.
Published: (2025)
Predicting Methane Adsorption in Metal-Substituted MOFs: A Comparative Study between Density Functional Theory and Machine Learning
by: Aljamal, Karim, et al.
Published: (2025)
by: Aljamal, Karim, et al.
Published: (2025)
Adsorption energies are necessary but not sufficient to identify good catalysts
by: Chatterjee, Shahana, et al.
Published: (2025)
by: Chatterjee, Shahana, et al.
Published: (2025)
Competitive Adsorption of Toluene and Water in MFI-type Zeolites
by: Arbiv, Gavriel, et al.
Published: (2025)
by: Arbiv, Gavriel, et al.
Published: (2025)
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)
Adsorption of molecular hydrogen on honeycomb ZnO monolayers: A quantum density-functional theory perspective
by: Martinez-Mesa, Aliezer, et al.
Published: (2024)
by: Martinez-Mesa, Aliezer, et al.
Published: (2024)
Adsorption and Vibrational Spectroscopy of CO on the Surface of MgO from Periodic Local Coupled-Cluster Theory
by: Ye, Hong-Zhou, et al.
Published: (2023)
by: Ye, Hong-Zhou, et al.
Published: (2023)
Accelerating Complex Materials Discovery with Universal Machine-Learning Potential-Driven Structure Prediction
by: An, Yuqi, et al.
Published: (2026)
by: An, Yuqi, et al.
Published: (2026)
Predictive quantum vibrational spectra through active learning 4G-NNPs
by: Faruque, Md Omar, et al.
Published: (2025)
by: Faruque, Md Omar, et al.
Published: (2025)
Adsorption energies and decomposition barrier heights for ethylene carbonate on the surface of lithium from cluster-based quantum chemistry
by: Vo, Ethan A., et al.
Published: (2026)
by: Vo, Ethan A., et al.
Published: (2026)
SITH: A Quantum-Chemical Framework for Predicting Bond Destabilization in Stretched Molecules
by: Sucerquia, Daniel, et al.
Published: (2026)
by: Sucerquia, Daniel, et al.
Published: (2026)
Benchmarking Universal Machine-Learned Interatomic Potentials for High-Temperature Metal-Organic Framework Chemistry
by: Edwards, Connor W., et al.
Published: (2026)
by: Edwards, Connor W., et al.
Published: (2026)
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)
Tritium Separation from Gaseous 1,2,3H Isotopologue Mixtures by Selective Adsorption on Ag-Exchanged Zeolite Type Y
by: Becker, Alexandra, et al.
Published: (2025)
by: Becker, Alexandra, et al.
Published: (2025)
Enhanced White-Light Emission from Self-Trapped Excitons in Antimony and Bismuth Halides through Structural Design
by: Klement, Philip, et al.
Published: (2025)
by: Klement, Philip, 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)
Adsorption of ions from aqueous solutions by ferroelectric nanoparticles
by: Kalinin, Sergei V., et al.
Published: (2024)
by: Kalinin, Sergei V., et al.
Published: (2024)
MultiModal-Learning for Predicting Molecular Properties: A Framework Based on Image and Graph Structures
by: Wang, Zhuoyuan, et al.
Published: (2023)
by: Wang, Zhuoyuan, et al.
Published: (2023)
CH$_4$ and CO$_2$ Adsorption Mechanisms on Monolayer Graphenylene and their Effects on Optical and Electronic Properties
by: Aligayev, A., et al.
Published: (2023)
by: Aligayev, A., et al.
Published: (2023)
A dual-cutoff machine-learned potential for condensed organic systems obtained via uncertainty-guided active learning
by: Kahle, Leonid, et al.
Published: (2024)
by: Kahle, Leonid, et al.
Published: (2024)
GENIUS: An Agentic AI Framework for Autonomous Design and Execution of Simulation Protocols
by: Soleymanibrojeni, Mohammad, et al.
Published: (2025)
by: Soleymanibrojeni, Mohammad, et al.
Published: (2025)
A Fast, Accurate, and Reactive Equivariant Foundation Potential
by: Ko, Tsz Wai, et al.
Published: (2025)
by: Ko, Tsz Wai, et al.
Published: (2025)
Investigating CO Adsorption on Cu(111) and Rh(111) Surfaces Using Machine Learning Exchange-Correlation Functionals
by: Liang, Xinyuan, et al.
Published: (2025)
by: Liang, Xinyuan, et al.
Published: (2025)
Noncollinear Spin-Flip TDDFT for Potential Energy Surface Crossings: Conical Intersections and Spin Crossings
by: Zhang, Xiaoyu, et al.
Published: (2025)
by: Zhang, Xiaoyu, et al.
Published: (2025)
Cross-Examination of Photoinitiated Carrier and Structural Dynamics of Black Phosphorus at Elevated Fluences
by: Chebl, Mazhar, et al.
Published: (2023)
by: Chebl, Mazhar, et al.
Published: (2023)
A Predictive Model for Catalytic Methane Pyrolysis
by: Pototschnig, Ulrich, et al.
Published: (2024)
by: Pototschnig, Ulrich, et al.
Published: (2024)
MolTRES: Improving Chemical Language Representation Learning for Molecular Property Prediction
by: Park, Jun-Hyung, et al.
Published: (2024)
by: Park, Jun-Hyung, et al.
Published: (2024)
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)
Recurrent Neural Networks for Prediction of Electronic Excitation Dynamics
by: Shapera, Ethan P., et al.
Published: (2024)
by: Shapera, Ethan P., et al.
Published: (2024)
Robustness of Local Predictions in Atomistic Machine Learning Models
by: Chong, Sanggyu, et al.
Published: (2023)
by: Chong, Sanggyu, et al.
Published: (2023)
NSGAN: A Non-Dominant Sorting Optimisation-Based Generative Adversarial Design Framework for Alloy Discovery
by: Li, Zhipeng, et al.
Published: (2024)
by: Li, Zhipeng, et al.
Published: (2024)
Understanding halide segregation in metal halide perovskites through defect thermodynamics
by: Navid, Abrar Fahim, et al.
Published: (2026)
by: Navid, Abrar Fahim, et al.
Published: (2026)
Multiscale, Techno-economic Evaluation of Isoreticular Series of CALF-20 for Biogas Upgrading using a Pressure/Vacuum Swing Adsorption (PVSA) Process
by: Shin, Changdon, et al.
Published: (2025)
by: Shin, Changdon, et al.
Published: (2025)
Expanding Universal Machine Learning Interatomic Potentials to 97 Elements Towards Nuclear Applications
by: Kuroda, Naoya, et al.
Published: (2026)
by: Kuroda, Naoya, et al.
Published: (2026)
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)
Tuning the coherent propagation of organic exciton-polaritons through dark state delocalization
by: Pandya, Raj, et al.
Published: (2021)
by: Pandya, Raj, et al.
Published: (2021)
Framework for additive manufacturing of porous Inconel 718 for electrochemical applications
by: Zafari, Ahmad, et al.
Published: (2023)
by: Zafari, Ahmad, et al.
Published: (2023)
Chemical Foundation Model Guided Design of High Ionic Conductivity Electrolyte Formulations
by: Zohair, Murtaza, et al.
Published: (2025)
by: Zohair, Murtaza, et al.
Published: (2025)
Teaching a Transformer to Think Like a Chemist: Predicting Nanocluster Stability
by: Palheta, João Marcos T., et al.
Published: (2025)
by: Palheta, João Marcos T., et al.
Published: (2025)
Metallic solid-state hydrogen storage crystals achieved through chemical precompression under ambient conditions
by: Liu, Baiqiang, et al.
Published: (2025)
by: Liu, Baiqiang, et al.
Published: (2025)
Similar Items
-
Universal Catalyst Design Framework for Electrochemical Hydrogen Peroxide Synthesis Facilitated by Local Atomic Environment Descriptors
by: Liu, Zhijian, et al.
Published: (2025) -
Predicting Methane Adsorption in Metal-Substituted MOFs: A Comparative Study between Density Functional Theory and Machine Learning
by: Aljamal, Karim, et al.
Published: (2025) -
Adsorption energies are necessary but not sufficient to identify good catalysts
by: Chatterjee, Shahana, et al.
Published: (2025) -
Competitive Adsorption of Toluene and Water in MFI-type Zeolites
by: Arbiv, Gavriel, et al.
Published: (2025) -
Multiple Adsorption of CO Molecules on Transition Metal Substitutional Impurities in Copper Surfaces
by: Christiansen, Magnus A. H., et al.
Published: (2025)