Valentino Cooper Distinguished R&D Staff Member and Section Head, Materials Theory, Modeling and Simulation Contact COOPERVR@ORNL.GOV All Publications Noncovalent interactions in nanotechnology... Magnetic behavior and spin-lattice coupling in cleavable van der Waals layered CrCl3 crystals Suppression of Defects and Deep Levels Using Isoelectronic Tungsten Substitution in Monolayer MoSe2... Antiferromagnetism in the van derWaals layered spin-lozenge semiconductor CrTe3... Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects... Forging Fast Ion Conducting Nanochannels with Swift Heavy Ions: The Correlated Role of Local Electronic and Atomic Structure... Chloride-reinforced carbon nanofiber host as effective polysulfide traps in lithium-sulfur batteries... Oxygen Vacancy Diffusion in Bulk SrTiO3 from Density Functional Theory Calculations Tunable One-Dimensional Electron Gas Carrier Densities at Nanostructured Oxide Interfaces... First principles materials design of novel functional oxides Constructing a magnetic handle for antiferromagnetic manganites Energy Level Alignment of Self-Assembled Linear Chains of Benzenediamine on Au(111) from First Principles Enhanced bifunctional oxygen catalysis in strained LaNiO3 perovskites ... Enhanced Bifunctional Oxygen Catalysis in Strained LaNiO3 Perovskites Recent Advances in Two-Dimensional Materials Beyond Graphene... Visualization of electronic density Rashba Effect in Single-Layer Antimony Telluroiodide SbTeI... Surface chemical reactivity of ultrathin Pd(111) films on Ru(0001): Importance of orbital symmetry in the application of th... Stabilization of weak ferromagnetism by strong magnetic response to epitaxial strain in multiferroic BiFeO3... First principles predictions of van der Waals bonded inorganic crystal structures: Test case, HgCl2... Mini-review of Electron Density Visualization Understanding Strain-Induced Phase Transformations in BiFeO3 Thin Films Correlating Local Structure with Electrochemical Activity in Li2MnO3 Segregation and trapping of oxygen vacancies near the SrTiO3 Σ3 (112) [-110] tilt grain boundary van der Waals forces in density functional theory: a review of the vdW-DF method Pagination First page « First Previous page ‹‹ … Page 2 Current page 3 Page 4 … Next page ›› Last page Last » 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
News Forging alliances: Workshop unites ORNL, Vanderbilt University to power nanoscience collaborations
