Smart Monte Carlo for accurate simulation of rare-event dynamics: Diffusion of adsorbed species on solid surfaces

Chemical Compounds

• Simulation 61%
• Diffusion 59%
• Adatoms 39%
• Transition State Theory 38%
• Time 34%
• Surface 30%
• Sampling 26%
• Transition State 26%
• Molecular Dynamics 23%
• Self-Diffusion 20%
• Monte Carlo Method 17%
• Potential Energy 16%
• Potential Energy Surface 15%
• Diffusion Coefficient 14%
• Velocity 13%
• Binding Site 11%

Physics & Astronomy

• solid surfaces 100%
• simulation 37%
• adatoms 32%
• escape 31%
• potential energy 27%
• sampling 27%
• molecular dynamics 23%
• Monte Carlo method 14%
• friction 13%
• diffusion coefficient 13%
• trajectories 12%