Materials Science · Physics
Sustainable Metal-Organic Framework Water Harvesters in the Artificial Intelligence Era
Reid A. Coyle, Shyam Chand Pal, Peter Walther, Saeun Park +2
2026-05-29
Quantum Physics · Physics
A Multi-Scale Quantum Framework for Evaluating Metal-Organic Frameworks in Carbon Capture
Tom W. A. Montgomery, Adrian Varela-Alvarez, Sam Genway, Philip Llewellyn +1
2025-06-04
Materials Science · Physics
A generative artificial intelligence framework based on a molecular diffusion model for the design of metal-organic frameworks for carbon capture
Hyun Park, Xiaoli Yan, Ruijie Zhu, E. A. Huerta +4
2024-03-14
Materials Science · Physics
The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture
Anuroop Sriram, Sihoon Choi, Xiaohan Yu, Logan M. Brabson +5
2023-11-28
Materials Science · Physics
Performance-based screening of porous materials for carbon capture
Amir H. Farmahini, Shreenath Krishnamurthy, Daniel Friedrich, Stefano Brandani +1
2020-12-02
Materials Science · Physics
Design of Amine-Functionalized Materials for Direct Air Capture Using Integrated High-Throughput Calculations and Machine Learning
Megan C. Davis, Wilton J. M. Kort-Kamp, Ivana Matanovic, Piotr Zelenay +1
2024-10-21
Computer Vision and Pattern Recognition · Computer Science
Synchronized Object Detection for Autonomous Sorting, Mapping, and Quantification of Materials in Circular Healthcare
Federico Zocco, Daniel R. Lake, Seán McLoone, Shahin Rahimifard
2025-01-28
Materials Science · Physics
Machine learning with persistent homology and chemical word embeddings improves prediction accuracy and interpretability in metal-organic frameworks
Aditi S. Krishnapriyan, Joseph Montoya, Maciej Haranczyk, Jens Hummelshøj +1
2021-04-01
Materials Science · Physics
Water-stable MOFs and Hydrophobically Encapsulated MOFs for CO2 Capture from Ambient Air and Wet Flue Gas
Xiaoyang Shi, Gahyun Annie Lee, Shuohan Liu, Dongjae Kim +4
2022-11-03
Machine Learning · Computer Science
Machine Guided Discovery of Novel Carbon Capture Solvents
James L. McDonagh, Benjamin H. Wunsch, Stamatia Zavitsanou, Alexander Harrison +4
2023-03-28
Quantum Physics · Physics
Quantum simulation of carbon capture in periodic metal-organic frameworks
Dario Rocca, Jerome F. Gonthier, Joshua Levin, Tobias Schafer +3
2025-10-06
Materials Science · Physics
High-throughput screening of metal-porphyrin-like graphenes for selective capture of carbon dioxide
Hyeonhu Bae, Minwoo Park, Byungryul Jang, Yura Kang +8
2016-06-03
Materials Science · Physics
Demonstrating Electrochemical CO$_2$ Capture on Redox-Active Metal-Organic Frameworks
Iuliia Vetik, Nikita Žoglo, Akmal Kosimov, Ritums Cepitis +13
2026-01-13
Biomolecules · Quantitative Biology
MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
Nayoung Kim, Seongsu Kim, Minsu Kim, Jinkyoo Park +1
2025-03-20
Chemical Physics · Physics
MOFDiff: Coarse-grained Diffusion for Metal-Organic Framework Design
Xiang Fu, Tian Xie, Andrew S. Rosen, Tommi Jaakkola +1
2023-10-19
Materials Science · Physics
The Rise of Generative AI for Metal-Organic Framework Design and Synthesis
Chenru Duan, Aditya Nandy, Shyam Chand Pal, Xin Yang +16
2026-03-31
Materials Science · Physics
Rapid Design of Top-Performing Metal-Organic Frameworks with Qualitative Representations of Building Blocks
Yigitcan Comlek, Thang Duc Pham, Randall Snurr, Wei Chen
2023-11-16
Multimedia · Computer Science
Generic Subsequence Matching Framework: Modularity, Flexibility, Efficiency
David Novak, Petr Volny, Pavel Zezula
2012-06-13
Medical Physics · Physics
Design of Spatial-Spectral Filters for CT Material Decomposition
Matthew Tivnan, Wenying Wang, Grace Gang, J. Webster Stayman
2020-10-16
Materials Science · Physics
The Open DAC 2025 Dataset for Sorbent Discovery in Direct Air Capture
Anuroop Sriram, Logan M. Brabson, Xiaohan Yu, Sihoon Choi +11
2025-09-25
Materials Science · Physics
Towards explainable message passing networks for predicting carbon dioxide adsorption in metal-organic frameworks
Ali Raza, Faaiq Waqar, Arni Sturluson, Cory Simon +1
2020-12-08