most citedToward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals

1 citations · 1 across the 1 of their papers we have counts for

collaborators
Showing quant-phShow all

2 papers · 1 filter

quant-ph2025

Approximate quantum circuit compilation for proton-transfer kinetics on quantum processors

Arseny Kovyrshin, Dilhan Manawadu, Edoardo Altamura +15

Proton transfer reactions are fundamental to many chemical and biological systems, where quantum effects such as tunneling, delocalization, and zero-point motion play key kinetic c…

quant-ph2023

The variational quantum eigensolver self-consistent field method within a polarizable embedded framework

Erik Rosendahl Kjellgren, Peter Reinholdt, Aaron Fitzpatrick +6

We formulate and implement the Variational Quantum Eigensolver Self Consistent Field (VQE-SCF) algorithm in combination with polarizable embedding (PE), thereby extending PE to the…