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Kinetic Monte Carlo Simulations of Low-Temperature NH 3 -SCR over Cu-Exchanged Chabazite

• Authors : Feng, Yingxin, 1994; Grönbeck, Henrik, 1966

Subjects: NH -SCR 3; Density functional theory; Al distribution

• Source: ChemPhysChem. 25(18)

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A kinetic Monte Carlo approach for Boolean logic functionality in gold nanoparticle networks

• Authors : Jonas Mensing; Wilfred G. van der Wiel; Andreas Heuer

Subjects: kinetic Monte Carlo; brain-inspired computing; neuromorphic computing

• Source: Frontiers in Nanotechnology, Vol 6 (2024)

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An ab initio simulation on electron beam physical vapor deposition of Gd2Zr2O7 coating by density functional theory and kinetic Monte Carlo.

• Authors : Fan, Haolong¹ (AUTHOR); He, Xiaodong¹ (AUTHOR); Gao, Jin¹ (AUTHOR)

• Source: Journal of the American Ceramic Society. Nov2023, Vol. 106 Issue 11, p6413-6424. 12p. 1 Diagram, 2 Charts, 7 Graphs.

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Kinetic Monte Carlo (KMC) simulation of sintering of nickel oxide-yttria stabilized zirconia composites: Model, parameter calibration and validation

• Authors : Shihao Zhou; Xuhao Liu; Zilin Yan

Subjects: Sintering; Solid oxide fuel cell; Kinetic Monte Carlo

• Source: Materials & Design, Vol 232, Iss , Pp 112094- (2023)

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Area-selective growth for patterning and separation of molecules at allocated sites: Designed kinetic Monte Carlo simulation for anisotropic molecules

• Authors : Yue Jiang; Liang Shi; Naibo Chen

Subjects: Kinetic Monte Carlo; Area-selective growth; Anisotropic molecules

• Source: Results in Physics, Vol 44, Iss , Pp 106145- (2023)

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A kinetic Monte Carlo study of the C3S dissolution mechanism

• Authors : Martín, Pablo; Gaitero Redondo, Juan José; Méndez Aretxabaleta, Xabier

Subjects: kinetic Monte Carlo; dissolution mechanism; C3S

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Comprehensive Density Functional and Kinetic Monte Carlo Study of CO 2 Hydrogenation on a Well-Defined Ni/CeO 2 Model Catalyst: Role of Eley–Rideal Reactions

• Authors : Pablo Lozano-Reis; Pablo Gamallo; Ramón Sayós

Subjects: Biophysics; Biochemistry; Molecular Biology

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SQERTSS: Dynamic rank based throttling of transition probabilities in kinetic Monte Carlo simulations

• Authors : Savara, Aditya [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division] (ORCID:0000000219372571)

• Source: Computer Physics Communications; 219; C

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Simulation of metal additive manufacturing microstructures using kinetic Monte Carlo

• Authors : Tikare, Veena [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Multiscale Science]

• Source: Computational Materials Science; 135; C

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Kinetic Monte Carlo simulations of GaN homoepitaxy on c- and m-plane surfaces

• Authors : Thompson, Carol

• Source: Journal of Chemical Physics; 146; 14

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