Barros K - Search Results

1

Freezing into stripe states in two-dimensional ferromagnets and crossing probabilities in critical percolation.

Barros K, Krapivsky PL, Redner S. Barros K, et al. Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Oct;80(4 Pt 1):040101. doi: 10.1103/PhysRevE.80.040101. Epub 2009 Oct 8. Phys Rev E Stat Nonlin Soft Matter Phys. 2009. PMID: 19905257

2

Machine Learning Framework for Modeling Exciton Polaritons in Molecular Materials.

Li X, Lubbers N, Tretiak S, Barros K, Zhang Y. Li X, et al. Among authors: barros k. J Chem Theory Comput. 2024 Jan 23;20(2):891-901. doi: 10.1021/acs.jctc.3c01068. Epub 2024 Jan 3. J Chem Theory Comput. 2024. PMID: 38168674

3

Extending machine learning beyond interatomic potentials for predicting molecular properties.

Fedik N, Zubatyuk R, Kulichenko M, Lubbers N, Smith JS, Nebgen B, Messerly R, Li YW, Boldyrev AI, Barros K, Isayev O, Tretiak S. Fedik N, et al. Among authors: barros k. Nat Rev Chem. 2022 Sep;6(9):653-672. doi: 10.1038/s41570-022-00416-3. Epub 2022 Aug 25. Nat Rev Chem. 2022. PMID: 37117713 Review.

4

CP² skyrmions and skyrmion crystals in realistic quantum magnets.

Zhang H, Wang Z, Dahlbom D, Barros K, Batista CD. Zhang H, et al. Among authors: barros k. Nat Commun. 2023 Jun 19;14(1):3626. doi: 10.1038/s41467-023-39232-8. Nat Commun. 2023. PMID: 37336881 Free PMC article.

5

Lightweight and effective tensor sensitivity for atomistic neural networks.

Chigaev M, Smith JS, Anaya S, Nebgen B, Bettencourt M, Barros K, Lubbers N. Chigaev M, et al. Among authors: barros k. J Chem Phys. 2023 May 14;158(18):184108. doi: 10.1063/5.0142127. J Chem Phys. 2023. PMID: 37158328

6

Synergy of semiempirical models and machine learning in computational chemistry.

Fedik N, Nebgen B, Lubbers N, Barros K, Kulichenko M, Li YW, Zubatyuk R, Messerly R, Isayev O, Tretiak S. Fedik N, et al. Among authors: barros k. J Chem Phys. 2023 Sep 21;159(11):110901. doi: 10.1063/5.0151833. J Chem Phys. 2023. PMID: 37712780

7

Uncertainty-driven dynamics for active learning of interatomic potentials.

Kulichenko M, Barros K, Lubbers N, Li YW, Messerly R, Tretiak S, Smith JS, Nebgen B. Kulichenko M, et al. Among authors: barros k. Nat Comput Sci. 2023 Mar;3(3):230-239. doi: 10.1038/s43588-023-00406-5. Epub 2023 Mar 6. Nat Comput Sci. 2023. PMID: 38177878 Free PMC article.

8

Semi-Empirical Shadow Molecular Dynamics: A PyTorch Implementation.

Kulichenko M, Barros K, Lubbers N, Fedik N, Zhou G, Tretiak S, Nebgen B, Niklasson AMN. Kulichenko M, et al. Among authors: barros k. J Chem Theory Comput. 2023 Jun 13;19(11):3209-3222. doi: 10.1021/acs.jctc.3c00234. Epub 2023 May 10. J Chem Theory Comput. 2023. PMID: 37163680

9

Transient nucleation near the mean-field spinodal.

Schweiger AO, Barros K, Klein W. Schweiger AO, et al. Among authors: barros k. Phys Rev E Stat Nonlin Soft Matter Phys. 2007 Mar;75(3 Pt 1):031102. doi: 10.1103/PhysRevE.75.031102. Epub 2007 Mar 2. Phys Rev E Stat Nonlin Soft Matter Phys. 2007. PMID: 17500663

10

Approaching equilibrium and the distribution of clusters.

Wang H, Barros K, Gould H, Klein W. Wang H, et al. Among authors: barros k. Phys Rev E Stat Nonlin Soft Matter Phys. 2007 Oct;76(4 Pt 1):041116. doi: 10.1103/PhysRevE.76.041116. Epub 2007 Oct 11. Phys Rev E Stat Nonlin Soft Matter Phys. 2007. PMID: 17994945

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