Methods, software, and benchmarks for modeling long timescale dynamics in solid-state atomic systems
The timescale of chemical reactions in solid-state systems greatly exceeds what may be modeled by direct integration of Newton's equation of motion. This limitation spawned the development of many different methods such as (adaptive) kinetic Monte Carlo (A)KMC, (harmonic) transition state the...
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| Format: | Others |
| Language: | en |
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2014
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| Online Access: | http://hdl.handle.net/2152/25930 |