11 citations · 23 across the 10 of their papers we have counts for
5 papers · 1 filter
The advent of fully variational quantum eigensolvers using a hybrid multiresolution approach
Fabian Langkabel, Stefan Knecht, Jakob S. Kottmann
In electronic structure theory, variational methods offer a valuable paradigm for approximating electronic ground states. However, for historical reasons, this principle is mostly…
Quantum-centric strong and dynamical electron correlation: A resource-efficient second-order -electron valence perturbation theory formulation for near-term quantum devices
Aaron Fitzpatrick, N. Walter Talarico, Roberto Di Remigio Eikås +1
We present a measurement-cost efficient implementation of Strongly-Contracted -Electron Valence Perturbation Theory (SC-NEVPT2) for use on near-term quantum devices. At the hear…
ADAPT-VQE: Toward Accurate Calculation of Excitation Energies on Quantum Computers for BODIPY Molecules With Application in Photodynamic Therapy
Anton Nykänen, Leander Thiessen, Elsi-Mari Borrelli +3
Quantum chemistry simulations offer a cost-effective way for computational design of BODIPY photosensitizers with potential use in photodynamic therapy (PDT). However, accurate pre…
Electric Field Gradient Calculations for Ice VIII and IX using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators
Dániel Nagy, Peter Reinholdt, Phillip W. K. Jensen +7
We test the performance of the Polarizable Embedding Variational Quantum Eigensolver Self-Consistent-Field (PE-VQE-SCF) model for computing electric field gradients with comparison…
Towards Efficient Quantum Computing for Quantum Chemistry: Reducing Circuit Complexity with Transcorrelated and Adaptive Ansatz Techniques
Erika Magnusson, Aaron Fitzpatrick, Stefan Knecht +2
The near-term utility of quantum computers is hindered by hardware constraints in the form of noise. One path to achieving noise resilience in hybrid quantum algorithms is to decre…