4 papers
First-Principles Calculation of Superconducting in Superhard B-C-N Metals
Adam D. Smith, Yogesh K. Vohra, Cheng-Chien Chen
We perform first-principles electron-phonon calculations to evaluate the superconducting transition temperature for ternary superhard metals BCN and BCN.…
Unraveling the Robust Superconductivity Phenomenon of High-Entropy Alloy
Adam D. Smith, Wenjun Ding, Yogesh K. Vohra +1
Recent experiments demonstrate a "robust superconductivity phenomenon" in niobium-based alloys, where the superconducting state remains intact and the critical temperature ()…
Terbium under High Pressure: First-Principles Dynamical Mean-Field Theory Study
Wenjun Ding, Yogesh K. Vohra, Cheng-Chien Chen
Elemental rare-earth metals provide a playground for studying novel electron correlation effects and complex magnetism. However, ab initio simulations of these systems remain chall…
Machine Learning and First-Principles Predictions of Materials with Low Lattice Thermal Conductivity
Chia-Min Lin, Abishek Khatri, Da Yan +1
We perform machine learning (ML) simulations and density functional theory (DFT) calculations to search for materials with low lattice thermal conductivity, . Several cadmium…