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The Voth Group

The Voth Group

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  • Greg Voth
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    • Theory of Coarse-Graining and Multiscale Phenomena
    • Charge Transport
    • Renewable Energy Materials
    • Simulations of Biomolecular Systems
    • Software: OpenMSCG
    • Software: RAPTOR
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Publications

Author Title Type [ Year(Desc)]
Filters: Author is Calio, PB  [Clear All Filters]
2020
Calio PB, Hocky GM, Voth GA. Minimal Experimental Bias on the Hydrogen Bond Greatly Improves Ab Initio Molecular Dynamics Simulations of Water. J. Chem. Theory. Comput. 2020 ;16(9):5675–5684 .
  • PubMed
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Calio PB, Li C, Voth GA. Molecular Origins of the Barriers to Proton Transport in Acidic Aqueous Solutions. J. Phys. Chem. B. 2020 ;124(40):8868–8876.
  • PubMed
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2021
Arntsen C, Chen C, Calio PB, Li C, Voth GA. The Hopping Mechanism of the Hydrated Excess Proton and Its Contribution to Proton Diffusion in Water. J. Chem. Phys. 2021 ;154(19):194506.
  • PubMed
  • DOI
Calio PB, Li C, Voth GA. Resolving the Structural Debate for the Hydrated Excess Proton in Water. J. Am. Chem. Soc. 2021 ;143(44):18672−18683.
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