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cond-mat.mtrl-sci2022★ 1 cited
Prediction of Adsorption in Nano-Pores with Graph Neural Networks
Guojing Cong, Anshul Gupta, Rodrigo Neumann +3
We investigate the graph-based convolutional neural network approach for predicting and ranking gas adsorption properties of crystalline Metal-Organic Framework (MOF) adsorbents fo…
physics.med-ph2022★ 6 cited
AI-aided multiscale modeling of physiologically-significant blood clots
Yicong Zhu, Changnian Han, Peng Zhang +5
We have developed an AI-aided multiple time stepping (AI-MTS) algorithm and multiscale modeling framework (AI-MSM) and implemented them on the Summit-like supercomputer, AIMOS. AI-…