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20242026
most citedTraining Dataset Matters for Machine Learning Interatomic Potentials: Water Simulation as an Example

2 citations · 6 across the 7 of their papers we have counts for

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physics.comp-ph2024

Enhanced Deep Potential Model for Fast and Accurate Molecular Dynamics; Application to the Hydrated Electron

Ruiqi Gao, Yifan Li, Roberto Car

In molecular simulations, neural network force fields aim at achieving \emph{ab initio} accuracy with reduced computational cost. This work introduces enhancements to the Deep Pote…

physics.chem-ph2024★ 2 cited

Electrical double layer and capacitance of TiO2 electrolyte interfaces from first principles simulations

Chunyi Zhang, Marcos Calegari Andrade, Zachary K. Goldsmith +6

The electrical double layer (EDL) at aqueous solution-metal oxide interfaces critically affects many fundamental processes in electrochemistry, geology and biology, yet understandi…