63 citations · 77 across the 4 of their papers we have counts for
4 papers
Resource-Efficient Quantum Circuits for Molecular Simulations: A Case Study of Umbrella Inversion in Ammonia
M. R. Nirmal, Sharma S. R. K. C. Yamijala, Kalpak Ghosh +2
We conducted a thorough evaluation of various state-of-the-art strategies to prepare the ground state wavefunction of a system on a quantum computer, specifically within the framew…
Quantum scattering cross sections of O() + N collisions for planetary aeronomy
Sanchit Kumar, Sumit Kumar, Marko Gacesa +2
"Hot atoms", which are atoms in their excited states, transfer their energy to the surrounding atmosphere through collisions. This process of energy transfer is known as thermaliza…
Improved Band Gaps and Structural Properties from Wannier-Fermi-Löwdin Self-Interaction Corrections for Periodic Systems
Ravindra Shinde, Sharma S. R. K. C. Yamijala, Bryan M. Wong
The accurate prediction of band gaps and structural properties in periodic systems continues to be one of the central goals of electronic structure theory. However, band gaps obtai…
A first principles investigation of cubic BaRuO: A Hund's metal
Nagamalleswararao Dasari, S. R. K. C. Sharma Yamijala, Manish Jain +4
A first-principles investigation of cubic-BaRuO, by combining density functional theory with dynamical mean-field theory and a hybridization expansion continuous time quantum M…