Výsledky vyhledávání

Enhanced performance of HRGO-RuO2 solid state flexible supercapacitors fabricated by electrophoretic deposition

Autor: Viet Hung Pham, Fatima Amir, James H. Dickerson, D. W. Mullinax

Publikováno v: Carbon. 107:338-343

Ruthenium oxide (RuO2) nanomaterials exist as excellent materials for electrochemical capacitors. However, they tend to suffer from low mechanical flexibility when cast into films, which makes them unsuitable for flexible device applications. Herein,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::151f7fa1e1b23817cf1df441fe1699eb
https://doi.org/10.1016/j.carbon.2016.06.013

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Recovering physical potentials from a model protein databank

Autor: J. W. Mullinax, William G. Noid

Publikováno v: Proceedings of the National Academy of Sciences. 107:19867-19872

Knowledge-based approaches frequently employ empirical relations to determine effective potentials for coarse-grained protein models directly from protein databank structures. Although these approaches have enjoyed considerable success and widespread

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::91ce7680ddd4abac902b6d8443853794
https://doi.org/10.1073/pnas.1006428107

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A Generalized-Yvon−Born−Green Theory for Determining Coarse-Grained Interaction Potentials

Autor: J. W. Mullinax, William G. Noid

Publikováno v: The Journal of Physical Chemistry C. 114:5661-5674

The present work introduces a generalized-Yvon−Born−Green (YBG) theory for calculating coarse-grained (CG) force fields directly from structure ensembles. The method is noniterative and determines the CG potentials from a system of coupled linear

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7678f4ab9bb915e141d129b4ec9f67f2
https://doi.org/10.1021/jp9073976

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Reference state for the generalized Yvon-Born-Green theory: application for coarse-grained model of hydrophobic hydration

Autor: J. W. Mullinax, William G. Noid

Publikováno v: The Journal of chemical physics. 133(12)

Coarse-grained (CG) models provide a computationally efficient means for investigating phenomena that remain beyond the scope of atomically detailed models. Although CG models are often parametrized to reproduce the results of atomistic simulations,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c71d1ded1e4d26408b19471dca8d239
https://pubmed.ncbi.nlm.nih.gov/20886924

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Generalized Yvon-Born-Green Theory for Molecular Systems

Autor: J. W. Mullinax, William G. Noid

Publikováno v: Physical Review Letters. 103

We employ a basis set representation for classical force fields to derive an original system of exact integral equations relating each mode in the force field to an associated set of structural correlation functions. This generalized Yvon-Born-Green

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ff45848c030efb4f0df2105a3b271add
https://doi.org/10.1103/physrevlett.103.198104

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Extended ensemble approach for deriving transferable coarse-grained potentials

Autor: J. W. Mullinax, William G. Noid

Publikováno v: The Journal of Chemical Physics. 131:104110

Coarse-grained (CG) models provide a computationally efficient means for investigating biological and soft-matter processes that evolve on long time scales and large length scales. The present work introduces an extended ensemble framework for calcul

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b41f6548b77eea2c52f39216a9f83fb2
https://doi.org/10.1063/1.3220627

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