[ACS] Machine Learning for Atomic Simulation and ActivityPrediction in Heterogeneous Catalysis: Current Status and Future |
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An OpenMM-BasedML/MM每MMGBSA Workflow for End-pointProtein每Ligand Binding Energy Ranking
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Room-Temperature Altermagnetic Nb2OX2(X = S, Se, Te) Monolayers with Controllable Valley Polarization: Implications to Spintronic Devices
