CRAFTED: An exploratory database of simulated adsorption isotherms of metal-organic frameworks
Oliveira, Felipe Lopes, Cleeton, Conor, Neumann Barros Ferreira, Rodrigo, Luan, Binquan, Farmahini, Amir H., Sarkisov, Lev, Steiner, Mathias
Published in Scientific data (20.04.2023)
Published in Scientific data (20.04.2023)
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Journal Article
Full scale, microscopically resolved tomographies of sandstone and carbonate rocks augmented by experimental porosity and permeability values
Esteves Ferreira, Matheus, Rodrigues Del Grande, Mariana, Neumann Barros Ferreira, Rodrigo, Ferreira da Silva, Ademir, Nogueira Pereira da Silva, Márcio, Tirapu-Azpiroz, Jaione, Lucas-Oliveira, Everton, de Araújo Ferreira, Arthur Gustavo, Soares, Renato, B. Eckardt, Christian, J. Bonagamba, Tito, Steiner, Mathias
Published in Scientific data (07.06.2023)
Published in Scientific data (07.06.2023)
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Journal Article
MDLab: AI frameworks for carbon capture and battery materials
Elmegreen, Bruce, Hamann, Hendrik F., Wunsch, Benjamin, Van Kessel, Theodore, Luan, Binquan, Elengikal, Tonia, Steiner, Mathias, Neumann Barros Ferreira, Rodrigo, Ohta, Ricardo Luis, Oliveira, Felipe Lopes, McDonagh, James L., O’Conchuir, Breanndan, Zavitsanou, Stamatia, Harrison, Alexander, Cipcigan, Flaviu, de Mel, Geeth, La, Young-Hye, Sharma, Vidushi, Zubarev, Dmitry Yu
Published in Frontiers in environmental science (28.08.2023)
Published in Frontiers in environmental science (28.08.2023)
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Journal Article
Quantum Informed Machine-Learning Potentials for Molecular Dynamics Simulations of CO2’s Chemisorption and Diffusion in Mg-MOF-74
Zheng, Bowen, Oliveira, Felipe Lopes, Neumann Barros Ferreira, Rodrigo, Steiner, Mathias, Hamann, Hendrik, Gu, Grace X., Luan, Binquan
Published in ACS nano (28.03.2023)
Published in ACS nano (28.03.2023)
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Journal Article
Enhanced carbon dioxide drainage observed in digital rock under intermediate wetting conditions
Azpiroz, Jaione Tirapu, Giro, Ronaldo, Neumann Barros Ferreira, Rodrigo, Nogueira Pereira da Silva, Marcio, Fernandes Blanco Rodriguez, Manuela, Lopez, Adolfo E. Correa, Vasquez, David A. Lazo, Esteves Ferreira, Matheus, Del Grande, Mariana, Ferreira Da Silva, Ademir, Steiner, Mathias B.
Published in Scientific reports (09.07.2024)
Published in Scientific reports (09.07.2024)
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Journal Article
pyMSER -- An open-source library for automatic equilibration detection in molecular simulations
Felipe Lopes Oliveira, Luan, Binquan, Pierre Mothé Esteves, Steiner, Mathias, Rodrigo Neumann Barros Ferreira
Published in arXiv.org (30.08.2024)
Published in arXiv.org (30.08.2024)
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Journal Article
Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNets
Cipcigan, Flaviu, Booth, Jonathan, Rodrigo Neumann Barros Ferreira, Carine Ribeiro dos Santos, Steiner, Mathias
Published in arXiv.org (16.10.2023)
Published in arXiv.org (16.10.2023)
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Paper
Journal Article
CRAFTED -- An exploratory database of simulated adsorption isotherms of metal-organic frameworks
Felipe Lopes Oliveira, Cleeton, Conor, Rodrigo Neumann Barros Ferreira, Luan, Binquan, Farmahini, Amir H, Sarkisov, Lev, Steiner, Mathias
Published in arXiv.org (17.10.2022)
Published in arXiv.org (17.10.2022)
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Paper
Journal Article
Optimizing carbon dioxide trapping for geological storage
Jaione Tirapu Azpiroz, Giro, Ronaldo, Rodrigo Neumann Barros Ferreira, Marcio Nogueira Pereira da Silva, Manuela Fernandes Blanco Rodriguez, Correa Lopez, Adolfo E, Lazo Vasquez, David A, Matheus Esteves Ferreira, Mariana Del Grande, Ademir Ferreira Da Silva, Steiner, Mathias B
Published in arXiv.org (21.12.2023)
Published in arXiv.org (21.12.2023)
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Journal Article
Full scale, microscopically resolved tomographies of sandstone and carbonate rocks augmented by experimental porosity and permeability values
Matheus Esteves Ferreira, Mariana Del Grande, Rodrigo Neumann Barros Ferreira, Ademir Ferreira da Silva, Márcio Nogueira Pereira da Silva, Tirapu-Azpiroz, Jaione, Lucas-Oliveira, Everton, Arthur Gustavo de Araújo Ferreira, Soares, Renato, Eckardt, Christian B, Bonagamba, Tito J, Steiner, Mathias
Published in arXiv.org (21.12.2022)
Published in arXiv.org (21.12.2022)
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Journal Article
A Flexible Dihydrogen-Bonded Organic Framework with Selective Gas Adsorption Properties
Yuan, Yanbin, Wang, Lingyao, Li, Jiahao, Jiang, Yunjia, Sun, Wanqi, Han, Yan, Luan, Binquan, Bayer, Jéssica, Ferreira, Rodrigo Neumann Barros, Steiner, Mathias, Chen, Banglin, Zhang, Yuanbin
Published in Chemistry of materials (09.08.2024)
Published in Chemistry of materials (09.08.2024)
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Journal Article
Quantum Informed Machine-Learning Potentials for Molecular Dynamics Simulations of CO 2 's Chemisorption and Diffusion in Mg-MOF-74
Zheng, Bowen, Oliveira, Felipe Lopes, Neumann Barros Ferreira, Rodrigo, Steiner, Mathias, Hamann, Hendrik, Gu, Grace X, Luan, Binquan
Published in ACS nano (28.03.2023)
Published in ACS nano (28.03.2023)
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Journal Article
Exploration of Quantum Computing in Materials Discovery for Direct Air Capture Applications
Barroca, Marco Antonio, Ferreira, Rodrigo Neumann Barros, Steiner, Mathias
Year of Publication 19.04.2024
Year of Publication 19.04.2024
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Journal Article
Symbolic Learning for Material Discovery
Cunnington, Daniel, Cipcigan, Flaviu, Ferreira, Rodrigo Neumann Barros, Booth, Jonathan
Year of Publication 30.11.2023
Year of Publication 30.11.2023
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Journal Article
Simulating carbon mineralization at pore scale in capillary networks of digital rock
Vasquez, David A. Lazo, Azpiroz, Jaione Tirapu, Ferreira, Rodrigo Neumann Barros, Giro, Ronaldo, Rodriguez, Manuela Fernandes Blanco, Ferreira, Matheus Esteves, Steiner, Mathias B
Year of Publication 04.07.2024
Year of Publication 04.07.2024
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Journal Article