2 papers
cond-mat.mtrl-sci2025
Quantum Computation of the Electronic Structure of Some Prototype Solids
Naman Khandelwal, Nidhi Verma, Pooja Jamdagni +1
Over the last decade, researchers have been working to improve a crucial aspect of quantum computing to predict Hamiltonian energy of solids. Quantum algorithms such as Variational…
cond-mat.mtrl-sci2024
First Principles Insight into Antiperovskite c-Na3HS Solid State Electrolyte
Sananya Chakraborty, Nidhi Verma, Ashok Kumar
We explore the potential of novel antiperovskite c-Na3HS to be a solid-state electrolyte for sodium-ion batteries. To investigate the dynamical stability, phase stability, thermal…