Zobrazeno 1 - 10
of 2 329
pro vyhledávání: '"FERREIRA, RODRIGO"'
Autor:
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
Metal organic frameworks (MOFs) are nanoporous materials with high surface-to-volume ratio that have potential applications as gas sorbents. Sample quality is, however, often compromised and it is unclear how defects and surface contaminants affect t
Externí odkaz:
http://arxiv.org/abs/2411.14644
Autor:
Vasquez, David A. Lazo, Azpiroz, Jaione Tirapu, Ferreira, Rodrigo Neumann Barros, Giro, Ronaldo, Rodriguez, Manuela Fernandes Blanco, Ferreira, Matheus Esteves, Steiner, Mathias B.
Predicting the geometrical evolution of the pore space in geological formations due to fluid-solid interactions has applications in reservoir engineering, oil recovery, and geological storage of carbon dioxide. However, modeling frameworks that combi
Externí odkaz:
http://arxiv.org/abs/2407.04238
Direct air capture (DAC) of carbon dioxide is a promising method for mitigating climate change. Solid sorbents, such as metal-organic frameworks, are currently being tested for DAC application. However, their potential for deployment at scale has not
Externí odkaz:
http://arxiv.org/abs/2404.13122
Autor:
Oliveira, Felipe Lopes, Luan, Binquan, Esteves, Pierre Mothé, Steiner, Mathias, Ferreira, Rodrigo Neumann Barros
Automated molecular simulations are used extensively for predicting material properties. Typically, these simulations exhibit two regimes: a dynamic equilibration part, followed by a steady state. For extracting observable properties, the simulations
Externí odkaz:
http://arxiv.org/abs/2403.19387
Autor:
Azpiroz, Jaione Tirapu, Giro, Ronaldo, Ferreira, Rodrigo Neumann Barros, da Silva, Marcio Nogueira Pereira, Rodriguez, Manuela Fernandes Blanco, Lopez, Adolfo E. Correa, Vasquez, David A. Lazo, Ferreira, Matheus Esteves, Del Grande, Mariana, Da Silva, Ademir Ferreira, Steiner, Mathias B.
Publikováno v:
Sci Rep 14, 15852 (2024)
Carbon dioxide (CO2) trapping in capillary networks of reservoir rocks is a pathway to long-term geological storage. At pore scale, the CO2 trapping potential depends on injection pressure, temperature, and the rock's interaction with the surrounding
Externí odkaz:
http://arxiv.org/abs/2312.13512
Autor:
Alexeev, Yuri, Amsler, Maximilian, Baity, Paul, Barroca, Marco Antonio, Bassini, Sanzio, Battelle, Torey, Camps, Daan, Casanova, David, Choi, Young Jai, Chong, Frederic T., Chung, Charles, Codella, Chris, Corcoles, Antonio D., Cruise, James, Di Meglio, Alberto, Dubois, Jonathan, Duran, Ivan, Eckl, Thomas, Economou, Sophia, Eidenbenz, Stephan, Elmegreen, Bruce, Fare, Clyde, Faro, Ismael, Fernández, Cristina Sanz, Ferreira, Rodrigo Neumann Barros, Fuji, Keisuke, Fuller, Bryce, Gagliardi, Laura, Galli, Giulia, Glick, Jennifer R., Gobbi, Isacco, Gokhale, Pranav, Gonzalez, Salvador de la Puente, Greiner, Johannes, Gropp, Bill, Grossi, Michele, Gull, Emanuel, Healy, Burns, Huang, Benchen, Humble, Travis S., Ito, Nobuyasu, Izmaylov, Artur F., Javadi-Abhari, Ali, Jennewein, Douglas, Jha, Shantenu, Jiang, Liang, Jones, Barbara, de Jong, Wibe Albert, Jurcevic, Petar, Kirby, William, Kister, Stefan, Kitagawa, Masahiro, Klassen, Joel, Klymko, Katherine, Koh, Kwangwon, Kondo, Masaaki, Kurkcuoglu, Doga Murat, Kurowski, Krzysztof, Laino, Teodoro, Landfield, Ryan, Leininger, Matt, Leyton-Ortega, Vicente, Li, Ang, Lin, Meifeng, Liu, Junyu, Lorente, Nicolas, Luckow, Andre, Martiel, Simon, Martin-Fernandez, Francisco, Martonosi, Margaret, Marvinney, Claire, Medina, Arcesio Castaneda, Merten, Dirk, Mezzacapo, Antonio, Michielsen, Kristel, Mitra, Abhishek, Mittal, Tushar, Moon, Kyungsun, Moore, Joel, Motta, Mario, Na, Young-Hye, Nam, Yunseong, Narang, Prineha, Ohnishi, Yu-ya, Ottaviani, Daniele, Otten, Matthew, Pakin, Scott, Pascuzzi, Vincent R., Penault, Ed, Piontek, Tomasz, Pitera, Jed, Rall, Patrick, Ravi, Gokul Subramanian, Robertson, Niall, Rossi, Matteo, Rydlichowski, Piotr, Ryu, Hoon, Samsonidze, Georgy, Sato, Mitsuhisa, Saurabh, Nishant, Sharma, Vidushi, Sharma, Kunal, Shin, Soyoung, Slessman, George, Steiner, Mathias, Sitdikov, Iskandar, Suh, In-Saeng, Switzer, Eric, Tang, Wei, Thompson, Joel, Todo, Synge, Tran, Minh, Trenev, Dimitar, Trott, Christian, Tseng, Huan-Hsin, Tureci, Esin, Valinas, David García, Vallecorsa, Sofia, Wever, Christopher, Wojciechowski, Konrad, Wu, Xiaodi, Yoo, Shinjae, Yoshioka, Nobuyuki, Yu, Victor Wen-zhe, Yunoki, Seiji, Zhuk, Sergiy, Zubarev, Dmitry
Publikováno v:
Future Generation Computer Systems, Volume 160, November 2024, Pages 666-710
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of the
Externí odkaz:
http://arxiv.org/abs/2312.09733
Discovering new materials is essential to solve challenges in climate change, sustainability and healthcare. A typical task in materials discovery is to search for a material in a database which maximises the value of a function. That function is oft
Externí odkaz:
http://arxiv.org/abs/2312.11487