204 citations · 555 across the 12 of their papers we have counts for
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cs.LG2023★ 4 cited
Neural Network Predicts Ion Concentration Profiles under Nanoconfinement
Zhonglin Cao, Yuyang Wang, Cooper Lorsung +1
Modeling the ion concentration profile in nanochannel plays an important role in understanding the electrical double layer and electroosmotic flow. Due to the non-negligible surfac…
cs.LG2023★ 26 cited
Denoise Pretraining on Nonequilibrium Molecules for Accurate and Transferable Neural Potentials
Yuyang Wang, Changwen Xu, Zijie Li +1
Recent advances in equivariant graph neural networks (GNNs) have made deep learning amenable to developing fast surrogate models to expensive ab initio quantum mechanics (QM) appro…