most citedA Minimal Experimental Bias on the Hydrogen Bond Greatly Improves Ab Initio Molecular Dynamics Simulations of Water

2 citations · 2 across the 2 of their papers we have counts for

collaborators

2 papers

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…

physics.chem-ph2020★ 2 cited

A Minimal Experimental Bias on the Hydrogen Bond Greatly Improves Ab Initio Molecular Dynamics Simulations of Water

Paul B. Calio, Glen M. Hocky, Gregory A. Voth

Experiment Directed Simulations (EDS) is a method within a class of techniques seeking to improve molecular simulations by minimally biasing the system Hamiltonian to reproduce cer…