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Vinit Sharma
Researcher at University of Tennessee
Publications - 87
Citations - 2649
Vinit Sharma is an academic researcher from University of Tennessee. The author has contributed to research in topics: Band gap & Density functional theory. The author has an hindex of 24, co-authored 79 publications receiving 1833 citations. Previous affiliations of Vinit Sharma include LNM Institute of Information Technology & Oak Ridge National Laboratory.
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Pathways towards ferroelectricity in hafnia
TL;DR: In this paper, a first-principles based structure search algorithm was used to identify low free energy phases at various pressures and temperatures of hafnia, and these phases were then recognized by exploiting group theoretical principles for the symmetry-allowed displacive transitions between nonpolar and polar phases.
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Rational design of all organic polymer dielectrics
Vinit Sharma,Chenchen Wang,Robert G. Lorenzini,Rui Ma,Qiang Zhu,Daniel W. Sinkovits,Ghanshyam Pilania,Artem R. Oganov,Sanat K. Kumar,Gregory A. Sotzing,Steven A. Boggs,Rampi Ramprasad +11 more
TL;DR: A strategy of hierarchical modelling with successive downselection stages to accelerate the identification of polymer dielectrics that have the potential to surpass 'standard' materials for a given application is proposed.
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A polymer dataset for accelerated property prediction and design.
Tran Doan Huan,Arun Mannodi-Kanakkithodi,Chiho Kim,Vinit Sharma,Ghanshyam Pilania,Rampi Ramprasad +5 more
TL;DR: A dataset of 1,073 polymers and related materials is developed, initially designed to include the optimized structures, atomization energies, band gaps, and dielectric constants, and is progressively expanded by accumulating new materials and including additional properties calculated for the optimize structures provided.
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Mesoporous Manganese Oxide Catalyzed Aerobic Oxidative Coupling of Anilines To Aromatic Azo Compounds
Biswanath Dutta,Sourav Biswas,Vinit Sharma,Nancy Ortins Savage,S. Pamir Alpay,Steven L. Suib +5 more
TL;DR: An environmentally friendly approach to the synthesis of symmetrical and asymmetrical aromatic azo compounds by using air as the sole oxidant under mild reaction conditions in the presence of cost-effective and reusable mesoporous manganese oxide materials is introduced.
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Electronic, magnetic and transport properties of Co2TiZ (Z=Si, Ge and Sn): A first-principle study
TL;DR: In this article, the electronic structure, magnetic and transport properties of some Co-based full Heusler alloys, namely Co 2 TiZ (Z=Si, Ge and Sn), were studied in the frame work of first-principle calculations.