22 citations · 49 across the 4 of their papers we have counts for
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High-throughput Density Functional Perturbation Theory and Machine Learning Predictions of Infrared, Piezoelectric and Dielectric Responses
Kamal Choudhary, Kevin F. Garrity, Vinit Sharma +3
Many technological applications depend on the response of materials to electric fields, but available databases of such responses are limited. Here, we explore the infrared, piezoe…
Dopant-mediated structural and magnetic properties of TbMnO3
Vinit Sharma, A. McDannald, M. Staruch +2
Structural and magnetic properties of the doped terbium manganites (Tb,A)MnO3 (A = Gd, Dy and Ho) have been investigated using first-principles calculations and further confirmed b…
Controlling Electronic Structure Through Epitaxial Strain in ZnSe/ZnTe Nano-heterostructures
Satyesh Kumar Yadav, Vinit Sharma, Rampi Ramprasad
Using first-principles computations, we study the effect of epitaxial strains on electronic structure variations across ZnSe/ZnTe nano-heterostructures. Epitaxial strains of variou…
Exploring PtSO and PdSO phases: an evolutionary algorithm based investigation
Hom Sharma, Vinit Sharma, Tran Doan Huan
Metal sulfate formation is one of the major challenges to the emissions aftertreatment catalysts. Unlike the incredibly sulfation prone nature of Pd to form PdSO, no experiment…