Personne
Xiaoqi Zhang
Publications associées (4)
Inverse design of metal-organic frameworks for direct air capture of CO2via deep reinforcement learning
Berend Smit, Xiaoqi Zhang, Sauradeep Majumdar, Hyunsoo Park
The combination of several interesting characteristics makes metal-organic frameworks (MOFs) a highly sought-after class of nanomaterials for a broad range of applications like gas storage and separation, catalysis, drug delivery, and so on. However, the e ...
Royal Soc Chemistry2024Deep learning-based recommendation system for metal-organic frameworks (MOFs)
Berend Smit, Xiaoqi Zhang, Kevin Maik Jablonka
This work presents a recommendation system for metal-organic frameworks (MOFs) inspired by online content platforms. By leveraging the unsupervised Doc2Vec model trained on document-structured intrinsic MOF characteristics, the model embeds MOFs into a hig ...
Royal Soc Chemistry2024Maximizing friction by liquid flow clogging in confinement
Ignacio Pagonabarraga Mora, Xiaoqi Zhang, Shan Chen
In the nanoscale regime, flow behaviors for liquids show qualitative deviations from bulk expectations. In this work, we reveal by molecular dynamics simulations that plug flow down to nanoscale induces molecular friction that leads to a new flow structure ...
SPRINGER2022A hybrid absorption-adsorption method to efficiently capture carbon
Berend Smit, Xiaoqi Zhang, Jin Wang, Yuqing Wu
Removal of carbon dioxide is an essential step in many energy-related processes. Here we report a novel slurry concept that combines specific advantages of metal-organic frameworks, ion liquids, amines and membranes by suspending zeolitic imidazolate frame ...
Nature Publishing Group2014