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Nature Communications|April 29, 2025
Model-free estimation of completeness, uncertainties, and outliers in atomistic machine learning using information theoryDaniel Schwalbe-Koda, Sebastien Hamel, Babak Sadigh, et al.Journal of Chemical Information and Modeling|August 26, 2024
Ice Phase Classification Made Easy with Score-Based DenoisingHong Sun, Sebastien Hamel, Tim Hsu, et al.Physical Review Letters|February 7, 2007
First-passage Monte Carlo algorithm: diffusion without all the hopsTomas Opplestrup, Vasily V Bulatov, George H Gilmer, et al.Physical Review. E|February 17, 2023
Properties of carbon up to 10 million kelvin from Kohn-Sham density functional theory molecular dynamicsMandy Bethkenhagen, Abhiraj Sharma, Phanish Suryanarayana, et al.The Journal of Chemical Physics|March 4, 2005
Adaptive importance sampling Monte Carlo simulation of rare transition eventsMaurice de Koning, Wei Cai, Babak Sadigh, et al.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|April 7, 2010
First-passage kinetic Monte Carlo methodTomas Oppelstrup, Vasily V Bulatov, Aleksandar Donev, et al.Patterns (New York, N.Y.)|May 26, 2021
Self-supervised learning and prediction of microstructure evolution with convolutional recurrent neural networksKaiqi Yang, Yifan Cao, Youtian Zhang, et al.International Journal of Molecular Sciences|June 26, 2025
Serum Insulin-like Growth Factor-II Is Associated with Poor Poststroke Outcomes in Males: A Secondary AnalysisChristian Glamheden, N David Åberg, Gustaf Gadd, et al.Scandinavian Journal of Caring Sciences|March 8, 2024
Evaluation of the Swedish Self-Efficacy in Palliative Care Scale and exploration of nurses' and physicians' self-efficacy in Swedish hospitals: A cross-sectional studyLisa Granat, Sofia Andersson, Daniel Åberg, et al.The Journal of Chemical Physics|January 16, 2022
Accurate parameterization of the kinetic energy functional for calculations using exact-exchangeShashikant Kumar, Babak Sadigh, Siya Zhu, et al.Pageof 4