11 citations · 40 across the 10 of their papers we have counts for
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physics.chem-ph2025★ 1 cited
Enhancing Diffusion-Based Sampling with Molecular Collective Variables
Juno Nam, Bálint Máté, Artur P. Toshev +6
Diffusion-based samplers learn to sample complex, high-dimensional distributions using energies or log densities alone, without training data. Yet, they remain impractical for mole…
physics.chem-ph2025★ 10 cited
Accurate and scalable exchange-correlation with deep learning
Giulia Luise, Chin-Wei Huang, Thijs Vogels +25
Density Functional Theory (DFT) underpins much of modern computational chemistry and materials science. Yet, the reliability of DFT-derived predictions of experimentally measurable…