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20202022
most citedUsing hyper-optimized tensor networks and first-principles electronic structure to simulate experimental properties of the giant {Mn84} torus

3 citations · 3 across the 3 of their papers we have counts for

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physics.chem-ph2022★ 3 cited

Using hyper-optimized tensor networks and first-principles electronic structure to simulate experimental properties of the giant {Mn84} torus

Dian-Teng Chen, Phillip Helms, Ashlyn R. Hale +7

The single-molecule magnet {Mn84} is a challenge to theory due to its high nuclearity. Building on our prior work which characterized the structure of the spectrum of this magnet,…

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…