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Unsupervised Learning Methods for Molecular Simulation Data.
Glielmo A, Husic BE, Rodriguez A, Clementi C, Noé F, Laio A. Glielmo A, et al. Chem Rev. 2021 Aug 25;121(16):9722-9758. doi: 10.1021/acs.chemrev.0c01195. Epub 2021 May 4. Chem Rev. 2021. PMID: 33945269 Free PMC article.
Ranking the information content of distance measures.
Glielmo A, Zeni C, Cheng B, Csányi G, Laio A. Glielmo A, et al. PNAS Nexus. 2022 Apr 14;1(2):pgac039. doi: 10.1093/pnasnexus/pgac039. eCollection 2022 May. PNAS Nexus. 2022. PMID: 36713323 Free PMC article.
Intrinsic Dimension Estimation for Discrete Metrics.
Macocco I, Glielmo A, Grilli J, Laio A. Macocco I, et al. Among authors: glielmo a. Phys Rev Lett. 2023 Feb 10;130(6):067401. doi: 10.1103/PhysRevLett.130.067401. Phys Rev Lett. 2023. PMID: 36827575
Building machine learning force fields for nanoclusters.
Zeni C, Rossi K, Glielmo A, Fekete Á, Gaston N, Baletto F, De Vita A. Zeni C, et al. Among authors: glielmo a. J Chem Phys. 2018 Jun 28;148(24):241739. doi: 10.1063/1.5024558. J Chem Phys. 2018. PMID: 29960375 Free article.
Coefficient of restitution of aspherical particles.
Glielmo A, Gunkelmann N, Pöschel T. Glielmo A, et al. Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Nov;90(5-1):052204. doi: 10.1103/PhysRevE.90.052204. Epub 2014 Nov 20. Phys Rev E Stat Nonlin Soft Matter Phys. 2014. PMID: 25493788
DADApy: Distance-based analysis of data-manifolds in Python.
Glielmo A, Macocco I, Doimo D, Carli M, Zeni C, Wild R, d'Errico M, Rodriguez A, Laio A. Glielmo A, et al. Patterns (N Y). 2022 Sep 19;3(10):100589. doi: 10.1016/j.patter.2022.100589. eCollection 2022 Oct 14. Patterns (N Y). 2022. PMID: 36277821 Free PMC article.
12 results