most citedSampling Rare Event Energy Landscapes via Birth-Death Augmented Dynamics

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physics.chem-ph2022

Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials

Benjamin Pampel, Omar Valsson

Collective variable-based enhanced sampling methods are routinely used on systems with metastable states, where high free energy barriers impede proper sampling of the free energy…