Zobrazeno 1 - 10
of 152
pro vyhledávání: '"Binquan Luan"'
Autor:
Bowen Zheng, Grace X. Gu, Carine dos Santos, Rodrigo Neumann Barros Ferreira, Mathias Steiner, Binquan Luan
Publikováno v:
APL Machine Learning, Vol 2, Iss 2, Pp 026115-026115-6 (2024)
The flexibility of metal–organic frameworks (MOFs) affects their gas adsorption and diffusion properties. However, reliable force fields for simulating flexible MOFs are lacking. As a result, most atomistic simulations so far have been carried out
Externí odkaz:
https://doaj.org/article/a28a8199a4dd4fbd8feeae1e719c1711
Autor:
Bruce Elmegreen, Binquan Luan
Publikováno v:
Next Energy, Vol 2, Iss , Pp 100079- (2024)
An idealized gas separation pump is described for a membrane filtration system that conserves compressional energy by transferring it from one component to another operating at a different phase of the compression-decompression cycle. An example of t
Externí odkaz:
https://doaj.org/article/fba21b831fb0439cb4def7ec401cb057
Autor:
Ronaldo Giro, Hsianghan Hsu, Akihiro Kishimoto, Toshiyuki Hama, Rodrigo F. Neumann, Binquan Luan, Seiji Takeda, Lisa Hamada, Mathias B. Steiner
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-11 (2023)
Abstract The generation of molecules with artificial intelligence (AI) or, more specifically, machine learning (ML), is poised to revolutionize materials discovery. Potential applications range from development of potent drugs to efficient carbon cap
Externí odkaz:
https://doaj.org/article/b5d2bf20411a4a59a49b0f658ff7f81f
Autor:
Felipe Lopes Oliveira, Conor Cleeton, Rodrigo Neumann Barros Ferreira, Binquan Luan, Amir H. Farmahini, Lev Sarkisov, Mathias Steiner
Publikováno v:
Scientific Data, Vol 10, Iss 1, Pp 1-12 (2023)
Abstract Grand Canonical Monte Carlo is an important method for performing molecular-level simulations and assisting the study and development of nanoporous materials for gas capture applications. These simulations are based on the use of force field
Externí odkaz:
https://doaj.org/article/23fab0b199794ea1bc38be8e2d1832b0
Autor:
Yunjia Jiang,, Yongqi Hu,, Binquan Luan,, Lingyao Wang,, Rajamani Krishna,, Haofei Ni,, Xin Hu, Yuanbin Zhang
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-9 (2023)
Ethylene (C2H4) purification from multi-component mixtures by physical adsorption is a great challenge in the chemical industry. Here authors present a GeF62- anion embedded MOF ZNU-6 with customized pore structure and pore chemistry for benchmark on
Externí odkaz:
https://doaj.org/article/43b7023d4469443aa99126ad2bbf790c
Autor:
Bruce Elmegreen, Hendrik F. Hamann, Benjamin Wunsch, Theodore Van Kessel, Binquan Luan, Tonia Elengikal, Mathias Steiner, Rodrigo Neumann Barros Ferreira, Ricardo Luis Ohta, Felipe Lopes Oliveira, James L. McDonagh, Breanndan O’Conchuir, Stamatia Zavitsanou, Alexander Harrison, Flaviu Cipcigan, Geeth de Mel, Young-Hye La, Vidushi Sharma, Dmitry Yu Zubarev
Publikováno v:
Frontiers in Environmental Science, Vol 11 (2023)
There is a growing urgency to discover better materials that capture CO2 from air and improve battery performance. An important step is to search large databases of materials properties to find examples that resemble known carbon capture agents or el
Externí odkaz:
https://doaj.org/article/d549eb903fde4e5e8a3c273393e70b8b
Autor:
Binquan Luan, Ruhong Zhou
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-6 (2019)
Single stranded DNA analysis is of interest for a range of applications; however, natural folding of DNA can cause problems with this. Here, the authors report on the in silico analysis of graphene and hexagonal-boron-nitride structures for the stret
Externí odkaz:
https://doaj.org/article/ddcc57ea76c2427cb2ee470f9a953bbc
Publikováno v:
Frontiers in Chemistry, Vol 8 (2021)
Coronavirus disease 2019 (COVID-19) is an ongoing global pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), with very limited treatments so far. Demonstrated with good druggability, two major proteases of SARS-CoV-2, nam
Externí odkaz:
https://doaj.org/article/10c874f4ed25441198e5adcae52b3c76
Autor:
Nana Luo, Jeffrey K. Weber, Shuang Wang, Binquan Luan, Hua Yue, Xiaobo Xi, Jing Du, Zaixing Yang, Wei Wei, Ruhong Zhou, Guanghui Ma
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-10 (2017)
Polyethylene glycol has been widely utilized to functionalize nanomaterials in order to improve their biocompatibility. Here, the authors demonstrate that PEGylated nano-graphene oxide can elicit an inflammatory response, contradicting current litera
Externí odkaz:
https://doaj.org/article/a128b2d6b00b4f8f896db220436e5a4a
Autor:
Bowen Zheng, Felipe Lopes Oliveira, Rodrigo Neumann Barros Ferreira, Mathias Steiner, Hendrik Hamann, Grace X. Gu, Binquan Luan
Publikováno v:
ACS Nano. 17:5579-5587