Papers matching “computational methods” 2,863
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Convolutional neural networks as an alternative to Bayesian retrievals for interpreting exoplanet transmission spectra2022 Astronomy and Astrophysics article Physics and Astronomy Stellar, planetary, and galactic studies Open access
Francisco Ardévol Martínez, Michiel Min, I. Kamp, Paul I. Palmer
32citations -
Solvation Free Energies of Anions: From Curated Reference Data to Predictive Models2025 Journal of the American Chemical Society article Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Thomas Nevolianis, Jonathan Wenyuan Zheng, Simon Müller, Matthias Baumann, Sofja Tshepelevitsh, Ivari Kaljurand, +4 more
12citations -
Empirical analysis of upper bounds of robustness distributions using adversarial attacks2025 Leiden Repository (Leiden University) article Computer Science Adversarial Robustness in Machine Learning Open access
A. Berg, Nils Eberhardt, Anton W. Bosman, H. Duwe, Jan N. van Rijn, Holger H. Hoos
0citations -
A general expression for the statistical error in a diffusion coefficient obtained from a solid‐state molecular‐dynamics simulation2023 Journal of Computational Chemistry article Chemistry Advanced Physical and Chemical Molecular Interactions Open access
Adrian L. Usler, Dennis Kemp, Alexander Bonkowski, Roger A. De Souza
22citations