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Energy

Working Paper

Discovery of Record-Breaking Metal-Organic Frameworks for Methane Storage using Evolutionary Algorithm and Machine Learning

Sangwon Lee, Baekjun Kim, Jihan Kim

Version 1 posted 20 May 2020

1,350

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2

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Theoretical and Computational Chemistry

Working Paper

Mining Predicted Crystal Structure Landscapes with High Throughput Crystallization: Old Molecules, New Insights

Peng Cui, David P. McMahon, Peter Spackman, Ben M. Alston, Marc A. Little, Graeme Day, Andrew I. Cooper

Version 1 posted 16 May 2019

885

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Theoretical and Computational Chemistry

Working Paper

High-Throughput Screening of Metal–organic Frameworks for Macroscale Heteroepitaxial Alignment

Andrew Tarzia, Masahide Takahashi, Paolo Falcaro, Aaron Thornton, Christian Doonan, David Huang

Version 1 posted 27 August 2018

930

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Materials Chemistry

Working Paper

Coarse-grained modelling to predict the packing of porous organic cages

Emma Wolpert, Kim Jelfs

Version 1 posted 12 August 2022

244

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Catalysis

Working Paper

Probing the role of acid site distribution on water structure in aluminosilicate zeolites: insights from molecular dynamics

Mingze Zheng, Brandon C. Bukowski

Version 3 posted 19 February 2024

542

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Materials Chemistry

Working Paper

Mechanochemical Synthesis of Boroxine-linked Covalent Organic Frameworks

Ehsan Hamzehpoor, Farshid Effaty, Tristan Borchers, Alexander Wahrhaftig-Lewis, Xavier Ottenwaelder, Tomislav Friščić, Dmytro F. Perepichka

Version 1 posted 05 March 2024

663

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Materials Science

Working Paper

A Multi-modal Pre-training Transformer for Universal Transfer Learning in Metal-Organic Frameworks

Yeonghun Kang, Hyunsoo Park, Berend Smit, Jihan Kim

Version 2 posted 18 January 2023

3,040

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Materials Chemistry

Working Paper

Pyrrolo[3,2-b]pyrrole-Based Covalent Triazine Framework: Three-dimensional Organization of Pores Using Nanostructural Spherical Carbon

Agnieszka Hryniewicka, Joanna Breczko, Gabriela Siemiaszko, Anthony Papathanassiou, Kinga Góra-Marek, Karolina Tarach, Krzysztof Brzezinski, Anna Ilnicka, Artur Terzyk, Karolina Markiewicz, Luis Echegoyen, Marta Plonska-Brzezinska

Version 1 posted 26 July 2022

305

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1

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Materials Science

Working Paper

Enhanced Hydrolytic Stability of Porous Boron Nitride via the Control of Crystallinity, Porosity and Chemical Composition

Ravi Shankar, Sofia Marchesini, Camille Petit

Version 1 posted 05 December 2018

766

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Theoretical and Computational Chemistry

Working Paper

Cations Mediate Lithium Polysulfide Adsorption in Metal-Organic Framework Coatings for Lithium-Sulfur Batteries

Roberto A. Jarrín, Kevin Bennett, V. Sara Thoi, Brandon C. Bukowski

Version 1 posted 11 August 2023

194

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10 results in porous material in Keywords: porous material

Discovery of Record-Breaking Metal-Organic Frameworks for Methane Storage using Evolutionary Algorithm and Machine Learning

Mining Predicted Crystal Structure Landscapes with High Throughput Crystallization: Old Molecules, New Insights

High-Throughput Screening of Metal–organic Frameworks for Macroscale Heteroepitaxial Alignment

Coarse-grained modelling to predict the packing of porous organic cages

Probing the role of acid site distribution on water structure in aluminosilicate zeolites: insights from molecular dynamics

Mechanochemical Synthesis of Boroxine-linked Covalent Organic Frameworks

A Multi-modal Pre-training Transformer for Universal Transfer Learning in Metal-Organic Frameworks

Pyrrolo[3,2-b]pyrrole-Based Covalent Triazine Framework: Three-dimensional Organization of Pores Using Nanostructural Spherical Carbon

Enhanced Hydrolytic Stability of Porous Boron Nitride via the Control of Crystallinity, Porosity and Chemical Composition

Cations Mediate Lithium Polysulfide Adsorption in Metal-Organic Framework Coatings for Lithium-Sulfur Batteries

10 results in Keywords: porous material