[HTML][HTML] Kinetic Monte Carlo simulations for heterogeneous catalysis: Fundamentals, current status, and challenges

The Journal of Chemical Physics, 2022 - pubs.aip.org
Kinetic Monte Carlo (KMC) simulations in combination with first-principles (1p)-based
calculations are rapidly becoming the gold-standard computational framework for bridging …

Kinetic Monte Carlo simulations for heterogeneous catalysis: Fundamentals, current status, and challenges

M Pineda, M Stamatakis - The Journal of chemical physics, 2022 - pubmed.ncbi.nlm.nih.gov
Kinetic Monte Carlo (KMC) simulations in combination with first-principles (1p)-based
calculations are rapidly becoming the gold-standard computational framework for bridging …

Kinetic Monte Carlo simulations for heterogeneous catalysis: Fundamentals, current status, and challenges

M Pineda, M Stamatakis - The Journal of Chemical Physics, 2022 - pubs.aip.org
ABSTRACT Kinetic Monte Carlo (KMC) simulations in combination with first-principles (1p)-
based calculations are rapidly becoming the gold-standard computational framework for …

Kinetic Monte Carlo simulations for heterogeneous catalysis: Fundamentals, current status, and challenges.

M Pineda, M Stamatakis - The Journal of Chemical Physics, 2022 - europepmc.org
Kinetic Monte Carlo (KMC) simulations in combination with first-principles (1p)-based
calculations are rapidly becoming the gold-standard computational framework for bridging …

[HTML][HTML] Kinetic Monte Carlo simulations for heterogeneous catalysis: Fundamentals, current status, and challenges

M Pineda, M Stamatakis - The Journal of Chemical Physics, 2022 - aip.scitation.org
Kinetic Monte Carlo (KMC) simulations in combination with first-principles (1p)-based
calculations are rapidly becoming the gold-standard computational framework for bridging …

Kinetic Monte Carlo simulations for heterogeneous catalysis: Fundamentals, current status, and challenges

M Pineda, M Stamatakis - Journal of Chemical Physics, 2022 - ui.adsabs.harvard.edu
Abstract Kinetic Monte Carlo (KMC) simulations in combination with first-principles (1p)-
based calculations are rapidly becoming the gold-standard computational framework for …

Kinetic Monte Carlo simulations for heterogeneous catalysis: Fundamentals, current status and challenges

M Pineda, M Stamatakis - The Journal of Chemical Physics, 2022 - discovery.ucl.ac.uk
Kinetic Monte Carlo (KMC) simulations in combination with first-principles-based
calculations are rapidly becoming the gold-standard computational framework for bridging …