Improvements in Metadynamics Simulations: The Essential Energy Space Random Walk and the Wang-Landau Recursion
Metadynamics is a popular tool to explore free energy landscapes and it has been use to elucidate various chemical or biochemical processes. The height of updating Gaussian function is very important for proper free energy convergence to the target free energy surface. Both higher and lower Gaussian...
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| Format: | Others |
| Language: | English English |
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Florida State University
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| Online Access: | http://purl.flvc.org/fsu/fd/FSU_migr_etd-1161 |