All Faculty and Research Staff Publications

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McDaniel JG, Yu K, Schmidt JR. Microscopic Origins of Enhanced Gas Adsorption and Selectivity in Mixed-Linker Metal-Organic Frameworks. Journal of Physical Chemistry C. 2013 ;117:17131-17142.
McDaniel JG, Schmidt JR. Physically-Motivated Force Fields from Symmetry-Adapted Perturbation Theory. Journal of Physical Chemistry A. 2013 ;117:2053-2066.
McDaniel JG, Schmidt JR. Robust, Transferable, and Physically Motivated Force Fields for Gas Adsorption in Functionalized Zeolitic Imidazolate Frameworks. Journal of Physical Chemistry C. 2012 ;116:14031-14039.
McDaniel JG, Schmidt JR. First-Principles Many-Body Force Fields from the Gas Phase to Liquid: A "Universal" Approach. Journal of Physical Chemistry B. 2014 ;118:8042-8053.
McDaniel JG, Li S, Tylianakis E, Snurr RQ, Schmidt JR. Evaluation of Force Field Performance for High-Throughput Screening of Gas Uptake in Metal-Organic Frameworks. Journal of Physical Chemistry C. 2015 ;119:3143-3152.
McDaniel JG, Choi E, Son CY, Schmidt JR, Yethiraj A. Conformational and Dynamic Properties of Poly(ethylene oxide) in an Ionic Liquid: Development and Implementation of a First-Principles Force Field. Journal of Physical Chemistry B. 2016 ;120:231-243.
McDaniel JG, Yethiraj A. Importance of hydrophobic traps for proton diffusion in lyotropic liquid crystals. Journal of Chemical Physics. 2016 ;144.
McDaniel JG, Schmidt JR. Next-Generation Force Fields from Symmetry-Adapted Perturbation Theory. In: Johnson MA, Martinez TJ Annual Review of Physical Chemistry. Vol. 67. Annual Review of Physical Chemistry. Palo Alto: Annual Reviews; 2016. pp. 467-488.
McDaniel JG, Choi E, Son CY, Schmidt JR, Yethiraj A. Ab Initio Force Fields for Imidazolium-Based Ionic Liquids. Journal of Physical Chemistry B. 2016 ;120:7024-7036.
McDaniel JG, Mantha S, Yethiraj A. Dynamics of Water in Gemini Surfactant-Based Lyotropic Liquid Crystals. Journal of Physical Chemistry B. 2016 ;120:10860-10868.
McDaniel JG, Yethiraj A. Coupling between the Dynamics of Water and Surfactants in Lyotropic Liquid Crystals. Journal of Physical Chemistry B. 2017 ;121:5048-5057.