Accurate and scalable exchange-correlation with deep learning
Paper • 2506.14665 • Published • 5
Sebastian Ehlert
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The State of Fortran
Paper • 2203.15110 • Published
The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project
Paper • 2603.14155 • Published • 1
Benchmarking semi-empirical quantum chemical methods on liquid water
Paper • 2503.11867 • Published
Toward Modern Fortran Tooling and a Thriving Developer Community
Paper • 2109.07382 • Published
r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications
Paper • 2012.09249 • Published