5 papers
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…
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…
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…