CRAFTED: An exploratory database of simulated adsorption isotherms of metal-organic frameworks von Oliveira, Felipe Lopes, Cleeton, Conor, Neumann Barros Ferreira, Rodrigo, Luan, Binquan, Farmahini, Amir H., Sarkisov, Lev, Steiner, Mathias

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Full scale, microscopically resolved tomographies of sandstone and carbonate rocks augmented by experimental porosity and permeability values von 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

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Quantum Informed Machine-Learning Potentials for Molecular Dynamics Simulations of CO2’s Chemisorption and Diffusion in Mg-MOF-74 von Zheng, Bowen, Oliveira, Felipe Lopes, Neumann Barros Ferreira, Rodrigo, Steiner, Mathias, Hamann, Hendrik, Gu, Grace X., Luan, Binquan

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MDLab: AI frameworks for carbon capture and battery materials von 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

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A method for near-perfect gas separation in two interconnected streams von Elmegreen, Bruce, Luan, Binquan, Neumann Barros Ferreira, Rodrigo, O’Conchuir, Breanndan

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pyMSERAn Open-Source Library for Automatic Equilibration Detection in Molecular Simulations von Oliveira, Felipe L., Luan, Binquan, Esteves, Pierre M., Steiner, Mathias, Neumann Barros Ferreira, Rodrigo

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Enhanced carbon dioxide drainage observed in digital rock under intermediate wetting conditions von 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.

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Simulating CO2 diffusivity in rigid and flexible Mg-MOF-74 with machine-learning force fields von Zheng, Bowen, Gu, Grace X., Santos, Carine dos, Neumann Barros Ferreira, Rodrigo, Steiner, Mathias, Luan, Binquan

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A Flexible Dihydrogen-Bonded Organic Framework with Selective Gas Adsorption Properties von 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

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Exploring qubit-ADAPT-VQE for materials discovery in direct air capture von Barroca, Marco Antonio, Neumann Barros Ferreira, Rodrigo, Steiner, Mathias

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pyMSER -- An open-source library for automatic equilibration detection in molecular simulations von Felipe Lopes Oliveira, Luan, Binquan, Pierre Mothé Esteves, Steiner, Mathias, Rodrigo Neumann Barros Ferreira

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Quantum Informed Machine-Learning Potentials for Molecular Dynamics Simulations of CO 2 's Chemisorption and Diffusion in Mg-MOF-74 von Zheng, Bowen, Oliveira, Felipe Lopes, Neumann Barros Ferreira, Rodrigo, Steiner, Mathias, Hamann, Hendrik, Gu, Grace X, Luan, Binquan

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Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNets von Cipcigan, Flaviu, Booth, Jonathan, Rodrigo Neumann Barros Ferreira, Carine Ribeiro dos Santos, Steiner, Mathias

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Discovery of novel reticular materials for carbon dioxide capture using GFlowNets von Cipcigan, Flaviu, Booth, Jonathan, Barros Ferreira, Rodrigo Neumann, Ribeiro dos Santos, Carine, Steiner, Mathias

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CRAFTED -- An exploratory database of simulated adsorption isotherms of metal-organic frameworks von Felipe Lopes Oliveira, Cleeton, Conor, Rodrigo Neumann Barros Ferreira, Luan, Binquan, Farmahini, Amir H, Sarkisov, Lev, Steiner, Mathias

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Optimizing carbon dioxide trapping for geological storage von 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

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Full scale, microscopically resolved tomographies of sandstone and carbonate rocks augmented by experimental porosity and permeability values von 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

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Exploration of Quantum Computing in Materials Discovery for Direct Air Capture Applications von Barroca, Marco Antonio, Ferreira, Rodrigo Neumann Barros, Steiner, Mathias

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Symbolic Learning for Material Discovery von Cunnington, Daniel, Cipcigan, Flaviu, Ferreira, Rodrigo Neumann Barros, Booth, Jonathan

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Mode-selective Raman imaging of metal-organic frameworks reveals surface heterogeneities of single HKUST-1 crystals von Ferreira, Matheus Esteves, Del Grande, Mariana, Oliveira, Felipe Lopes, Ferreira, Rodrigo Neumann Barros, da Silva, Ademir Ferreira, Carvalho, Pamela Costa, Lima, Geisa, Jorio, Ado, Steiner, Mathias

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