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Kinetic Monte Carlo simulations

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5 results in Keywords: Kinetic Monte Carlo simulations

Materials Science

Nucleation-Elongation Dynamics of Two-Dimensional Covalent Organic Frameworks

Haoyuan Li, Austin Evans, Ioannina Castano, Michael Strauss, William Dichtel, Jean-Luc Bredas

Version 1 posted 24 June 2019

576

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Theoretical and Computational Chemistry

Multiscale Simulations of Singlet and Triplet Exciton Dynamics in Disordered Molecular Systems based on Many-Body Green’s Functions Theory

Jens Wehner, Björn Baumeier

Version 1 posted 19 April 2019

753

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Materials Science

Transport Mechanisms Underlying Ionic Conductivity in Nanoparticle-Based Single-Ion Electrolytes

Sanket Kadulkar, Delia Milliron, Thomas Truskett, Venkat Ganesan

Version 2 posted 26 June 2020

913

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Theoretical and Computational Chemistry

Structure of PtRu/Ru(0001) and AgPd/Pd(111) surface alloys: A kinetic Monte Carlo study

David Mahlberg, Sung Sakong, Axel Gross

Version 1 posted 01 November 2021

287

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Evaluating the Benefits of Kinetic Monte Carlo and Microkinetic Modeling for Catalyst Design Studies in the Presence of Lateral Interactions

Xiao Li, Lars Grabow

Version 3 posted 04 January 2021

978

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