most citedDeepDFT: Neural Message Passing Network for Accurate Charge Density Prediction

13 citations · 13 across the 3 of their papers we have counts for

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physics.comp-ph2025★ 1 cited

GO-Diff: Data-free and amortized global structure optimization

Nikolaj Rønne, Tejs Vegge, Arghya Bhowmik

We introduce GO-Diff, a diffusion-based method for global structure optimization that learns to directly sample low-energy atomic configurations without requiring prior data or exp…

physics.comp-ph2020★ 13 cited

DeepDFT: Neural Message Passing Network for Accurate Charge Density Prediction

Peter Bjørn Jørgensen, Arghya Bhowmik

We introduce DeepDFT, a deep learning model for predicting the electronic charge density around atoms, the fundamental variable in electronic structure simulations from which all g…