Shao-Horn Y - Search Results

1

Graph dynamical networks for unsupervised learning of atomic scale dynamics in materials.

Xie T, France-Lanord A, Wang Y, Shao-Horn Y, Grossman JC. Xie T, et al. Nat Commun. 2019 Jun 17;10(1):2667. doi: 10.1038/s41467-019-10663-6. Nat Commun. 2019. PMID: 31209223 Free PMC article.

2

Biologically enhanced cathode design for improved capacity and cycle life for lithium-oxygen batteries.

Oh D, Qi J, Lu YC, Zhang Y, Shao-Horn Y, Belcher AM. Oh D, et al. Nat Commun. 2013;4:2756. doi: 10.1038/ncomms3756. Nat Commun. 2013. PMID: 24220635 Free PMC article.

3

Electrochemical polymerization of pyrene derivatives on functionalized carbon nanotubes for pseudocapacitive electrodes.

Bachman JC, Kavian R, Graham DJ, Kim DY, Noda S, Nocera DG, Shao-Horn Y, Lee SW. Bachman JC, et al. Nat Commun. 2015 May 6;6:7040. doi: 10.1038/ncomms8040. Nat Commun. 2015. PMID: 25943905 Free PMC article.

4

Polarity governs atomic interaction through two-dimensional materials.

Kong W, Li H, Qiao K, Kim Y, Lee K, Nie Y, Lee D, Osadchy T, Molnar RJ, Gaskill DK, Myers-Ward RL, Daniels KM, Zhang Y, Sundram S, Yu Y, Bae SH, Rajan S, Shao-Horn Y, Cho K, Ougazzaden A, Grossman JC, Kim J. Kong W, et al. Nat Mater. 2018 Nov;17(11):999-1004. doi: 10.1038/s41563-018-0176-4. Epub 2018 Oct 8. Nat Mater. 2018. PMID: 30297812 Free article.

5

Quantitative Mapping of Molecular Substituents to Macroscopic Properties Enables Predictive Design of Oligoethylene Glycol-Based Lithium Electrolytes.

Qiao B, Mohapatra S, Lopez J, Leverick GM, Tatara R, Shibuya Y, Jiang Y, France-Lanord A, Grossman JC, Gómez-Bombarelli R, Johnson JA, Shao-Horn Y. Qiao B, et al. ACS Cent Sci. 2020 Jul 22;6(7):1115-1128. doi: 10.1021/acscentsci.0c00475. Epub 2020 Jun 18. ACS Cent Sci. 2020. PMID: 32724846 Free PMC article.

6

Importance of Equilibration Method and Sampling for Ab Initio Molecular Dynamics Simulations of Solvent-Lithium-Salt Systems in Lithium-Oxygen Batteries.

Crabb E, France-Lanord A, Leverick G, Stephens R, Shao-Horn Y, Grossman JC. Crabb E, et al. J Chem Theory Comput. 2020 Dec 8;16(12):7255-7266. doi: 10.1021/acs.jctc.0c00833. Epub 2020 Nov 12. J Chem Theory Comput. 2020. PMID: 33180490

7

Cation- and pH-Dependent Hydrogen Evolution and Oxidation Reaction Kinetics.

Huang B, Rao RR, You S, Hpone Myint K, Song Y, Wang Y, Ding W, Giordano L, Zhang Y, Wang T, Muy S, Katayama Y, Grossman JC, Willard AP, Xu K, Jiang Y, Shao-Horn Y. Huang B, et al. JACS Au. 2021 Aug 26;1(10):1674-1687. doi: 10.1021/jacsau.1c00281. eCollection 2021 Oct 25. JACS Au. 2021. PMID: 34723270 Free PMC article.

8

Screening and Understanding Li Adsorption on Two-Dimensional Metallic Materials by Learning Physics and Physics-Simplified Learning.

Gong S, Wang S, Zhu T, Chen X, Yang Z, Buehler MJ, Shao-Horn Y, Grossman JC. Gong S, et al. JACS Au. 2021 Oct 6;1(11):1904-1914. doi: 10.1021/jacsau.1c00260. eCollection 2021 Nov 22. JACS Au. 2021. PMID: 34841409 Free PMC article.

9

Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties.

Xie T, France-Lanord A, Wang Y, Lopez J, Stolberg MA, Hill M, Leverick GM, Gomez-Bombarelli R, Johnson JA, Shao-Horn Y, Grossman JC. Xie T, et al. Nat Commun. 2022 Jun 14;13(1):3415. doi: 10.1038/s41467-022-30994-1. Nat Commun. 2022. PMID: 35701416 Free PMC article.

10

Calibrating DFT Formation Enthalpy Calculations by Multifidelity Machine Learning.

Gong S, Wang S, Xie T, Chae WH, Liu R, Shao-Horn Y, Grossman JC. Gong S, et al. JACS Au. 2022 Sep 9;2(9):1964-1977. doi: 10.1021/jacsau.2c00235. eCollection 2022 Sep 26. JACS Au. 2022. PMID: 36186569 Free PMC article.

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