539 citations · 2.2k across the 35 of their papers we have counts for
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physics.chem-ph2021★ 3 cited
Explaining classifiers to understand coarse-grained models
Aleksander Evren Paetzold Durumeric, Gregory A. Voth
Bottom-up coarse-grained molecular dynamics models are parameterized using complex effective Hamiltonians. These models are typically optimized to approximate high dimensional data…
physics.chem-ph2021
Understanding the Essential Nature of the Hydrated Excess Proton Through Simulation and Interpretation of Recent Spectroscopic Experiments
Paul B. Calio, Chenghan Li, Gregory A. Voth
Two-dimensional infrared spectroscopy experiments have presented new results regarding the dynamics of the hydrated excess proton (aka <q>hydronium</q> cation solvated in water). I…