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Attribution
Accurate and scalable exchange-correlation with deep learning
arXiv 2026
Solvation Free Energies from Neural Thermodynamic Integration
arXiv 2024
from 2 papers
Abylay Katbashev
Amir Karton
Chin-wei Huang
Christopher M. Bishop
David B. Williams-Young
Deniz Gunceler
Derk P. Kooi
François Fleuret
Giulia Luise
Gregor N. C. Simm