activity
20232026
most citedDeepQMC: an open-source software suite for variational optimization of deep-learning molecular wave functions

26 citations · 36 across the 2 of their papers we have counts for

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2 papers · 1 filter

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…

physics.chem-ph2025

Accurate Chemistry Collection: Coupled cluster atomization energies for broad chemical space

Sebastian Ehlert, Jan Hermann, Thijs Vogels +11

Accurate thermochemical data with sub-chemical accuracy (within 1 kcal mol of the empirical ground truth) are essential for advancing computational chemistry methods. Howeve…