5 papers
Observation of Improved Accuracy over Classical Sparse Ground-State Solvers using a Quantum Computer
William Kirby, Bibek Pokharel, Javier Robledo Moreno +25
Demonstrating quantum advantage over classical algorithms for ground state energy problems is an outstanding open problem in quantum computation. We experimentally demonstrate that…
Quantum Computations on Fusion Blanket Molten Salts
Susanta Das, Thiago J. Pinheiro Dos Santos, Subhamoy Bhowmik +14
Molten salts such as FLiBe (2LiF--BeF) are leading blanket materials for breeding and recovering tritium in fusion reactors. Predicting tritium speciation requires accurate ele…
Molecular Quantum Computations on a Protein
Akhil Shajan, Danil Kaliakin, Fangchun Liang +7
This work presents the implementation of a fragment-based, quantum-centric supercomputing workflow for computing molecular electronic structure using quantum hardware. The workflow…
From Promise to Practice: Benchmarking Quantum Chemistry on Quantum Hardware
Osama M. Raisuddin, Haimeng Zhang, Mario Motta +1
We provide a systematic evaluation of the sample-based quantum diagonalization (SQD) method for electronic structure based on the W4-11 thermochemistry dataset, comprising 124 tota…
Improved parameter initialization for the (local) unitary cluster Jastrow ansatz
Wan-Hsuan Lin, Fangchun Liang, Mario Motta +3
The unitary cluster Jastrow (UCJ) ansatz and its variant known as local UCJ (LUCJ) are promising choices for variational quantum algorithms for chemistry due to their combination o…