Valentino Cooper Distinguished R&D Staff Member and Section Head, Materials Theory, Modeling and Simulation Contact COOPERVR@ORNL.GOV All Publications First principles prediction of a morphotropic phase boundary in the Bi(Zn1/2Ti1/2)O3-(Bi1/2Sr1/2)(Zn1/2Nb1/2)O3 alloy A van der Waals density functional study of adenine on graphene: Single molecular adsorption and overlayer binding... Relationship between bond stiffness and electrical energy storage capacity in oxides: density functional calculations for h-L... Effect of $A$-site size difference on polar behavior in MBiScNbO6, (M=Na, K and Rb): Density functional calculations Van der Waals density functional: an appropriate exchange functional... Polar behavior of double perovskite (Bi,Pb)ZnNbO6 and (Bi,Sr)ZnNbO6: Density functional calculations Lattice strain effects in graphane and partially-hydrogenated graphene sheets... Computing dispersion interactions in density functional theory Calculated Properties of Fully Hydrogenated Single Layers of BN, BC2N, and Graphene: Graphane and Its BN-Containing Analogues Porous Graphene as the Ultimate Membrane for Gas Separation... Stacking interactions and DNA intercalation... Enhancing piezoelectricity through polarization-strain coupling in ferroelectric superlattices Theoretical and experimental analysis of H2 binding in a prototype metal organic framework material Pagination First page « First Previous page ‹‹ … Page 3 Page 4 Current page 5 Key Links Google Scholar Web of Science ORCID LinkedIn About me What I am working on Pint-sized science Q. &. A. Future of Energy @ ORNL Advancing the science of synthesis Fast and Cooperative Ion Transport in Polymer-Based Electrolytes (FaCT) Organizations Physical Sciences Directorate Materials Science and Technology Division Materials Theory, Modeling and Simulation Section Materials Theory Group Microstructural Evolution Modeling Group Materials Sciences and Engineering Program
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