3 citations · 3 across the 3 of their papers we have counts for
3 papers
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,…
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…
Water Assisted Proton Transport in Confined Nanochannels
Xinyou Ma, Chenghan Li, Alex B. F. Martinson +1
Hydrated excess protons under hydrophobic confinement are a critical component of charge transport behavior and reactivity in nanoporous materials and biomolecular systems. Herein…