These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
138 related articles for article (PubMed ID: 29096472)
1. Acceleration and sensitivity analysis of lattice kinetic Monte Carlo simulations using parallel processing and rate constant rescaling. Núñez M; Robie T; Vlachos DG J Chem Phys; 2017 Oct; 147(16):164103. PubMed ID: 29096472 [TBL] [Abstract][Full Text] [Related]
2. SQERT-T: alleviating kinetic Monte Carlo (KMC)-stiffness in transient KMC simulations. Savara A; Sutton JE J Phys Condens Matter; 2018 Jul; 30(29):295901. PubMed ID: 29882745 [TBL] [Abstract][Full Text] [Related]
3. Steady state likelihood ratio sensitivity analysis for stiff kinetic Monte Carlo simulations. Núñez M; Vlachos DG J Chem Phys; 2015 Jan; 142(4):044108. PubMed ID: 25637970 [TBL] [Abstract][Full Text] [Related]
4. A fast species redistribution approach to accelerate the kinetic Monte Carlo simulation for heterogeneous catalysis. Cao XM; Shao ZJ; Hu P Phys Chem Chem Phys; 2020 Apr; 22(14):7348-7364. PubMed ID: 32211648 [TBL] [Abstract][Full Text] [Related]
5. Accurate acceleration of kinetic Monte Carlo simulations through the modification of rate constants. Chatterjee A; Voter AF J Chem Phys; 2010 May; 132(19):194101. PubMed ID: 20499945 [TBL] [Abstract][Full Text] [Related]
6. An off-lattice, self-learning kinetic Monte Carlo method using local environments. Konwar D; Bhute VJ; Chatterjee A J Chem Phys; 2011 Nov; 135(17):174103. PubMed ID: 22070288 [TBL] [Abstract][Full Text] [Related]
7. A Practical Guide to Surface Kinetic Monte Carlo Simulations. Andersen M; Panosetti C; Reuter K Front Chem; 2019; 7():202. PubMed ID: 31024891 [TBL] [Abstract][Full Text] [Related]
8. Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions. Dybeck EC; Plaisance CP; Neurock M J Chem Theory Comput; 2017 Apr; 13(4):1525-1538. PubMed ID: 28195719 [TBL] [Abstract][Full Text] [Related]
9. Application of kinetic Monte Carlo method to equilibrium systems: vapour-liquid equilibria. Ustinov EA; Do DD J Colloid Interface Sci; 2012 Jan; 366(1):216-223. PubMed ID: 22014397 [TBL] [Abstract][Full Text] [Related]
10. Kinetic Monte Carlo modeling of chemical reactions coupled with heat transfer. Castonguay TC; Wang F J Chem Phys; 2008 Mar; 128(12):124706. PubMed ID: 18376959 [TBL] [Abstract][Full Text] [Related]
11. Exact distributed kinetic Monte Carlo simulations for on-lattice chemical kinetics: lessons learnt from medium- and large-scale benchmarks. Savva GD; Benson RL; Christidi IA; Stamatakis M Philos Trans A Math Phys Eng Sci; 2023 Jul; 381(2250):20220235. PubMed ID: 37211035 [TBL] [Abstract][Full Text] [Related]
12. Kinetic Monte Carlo simulations of surface reactions on supported nanoparticles: A novel approach and computer code. Kunz L; Kuhn FM; Deutschmann O J Chem Phys; 2015 Jul; 143(4):044108. PubMed ID: 26233108 [TBL] [Abstract][Full Text] [Related]
13. Comparison of Queueing Data-Structures for Kinetic Monte Carlo Simulations of Heterogeneous Catalysts. Savva GD; Stamatakis M J Phys Chem A; 2020 Sep; 124(38):7843-7856. PubMed ID: 32870681 [TBL] [Abstract][Full Text] [Related]
14. A Lattice Kinetic Monte Carlo Solver for First-Principles Microkinetic Trend Studies. Hoffmann MJ; Bligaard T J Chem Theory Comput; 2018 Mar; 14(3):1583-1593. PubMed ID: 29357239 [TBL] [Abstract][Full Text] [Related]
15. A graph-theoretical kinetic Monte Carlo framework for on-lattice chemical kinetics. Stamatakis M; Vlachos DG J Chem Phys; 2011 Jun; 134(21):214115. PubMed ID: 21663352 [TBL] [Abstract][Full Text] [Related]
16. Assessment of mean-field microkinetic models for CO methanation on stepped metal surfaces using accelerated kinetic Monte Carlo. Andersen M; Plaisance CP; Reuter K J Chem Phys; 2017 Oct; 147(15):152705. PubMed ID: 29055323 [TBL] [Abstract][Full Text] [Related]
17. Beyond mean-field approximations for accurate and computationally efficient models of on-lattice chemical kinetics. Pineda M; Stamatakis M J Chem Phys; 2017 Jul; 147(2):024105. PubMed ID: 28711048 [TBL] [Abstract][Full Text] [Related]
18. Efficient Implementation of Cluster Expansion Models in Surface Kinetic Monte Carlo Simulations with Lateral Interactions: Subtraction Schemes, Supersites, and the Supercluster Contraction. Hess F J Comput Chem; 2019 Nov; 40(30):2664-2676. PubMed ID: 31418885 [TBL] [Abstract][Full Text] [Related]
19. Acceleration scheme for particle transport in kinetic Monte Carlo methods. Kaiser W; Gößwein M; Gagliardi A J Chem Phys; 2020 May; 152(17):174106. PubMed ID: 32384840 [TBL] [Abstract][Full Text] [Related]
20. A practical approach to the sensitivity analysis for kinetic Monte Carlo simulation of heterogeneous catalysis. Hoffmann MJ; Engelmann F; Matera S J Chem Phys; 2017 Jan; 146(4):044118. PubMed ID: 28147552 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]