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Practical Benchmarking of Randomized Measurement Methods for Quantum Chemistry Hamiltonians
Arkopal Dutt, William Kirby, Rudy Raymond +4
Many hybrid quantum-classical algorithms for the application of ground state energy estimation in quantum chemistry involve estimating the expectation value of a molecular Hamilton…
Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions
Yuri Alexeev, Maximilian Amsler, Paul Baity +124
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of e…
Subspace methods for electronic structure simulations on quantum computers
Mario Motta, William Kirby, Ieva Liepuoniute +7
Quantum subspace methods (QSMs) are a class of quantum computing algorithms where the time-independent Schrodinger equation for a quantum system is projected onto a subspace of the…
Refining resource estimation for the quantum computation of vibrational molecular spectra through Trotter error analysis
Dimitar Trenev, Pauline J Ollitrault, Stuart M. Harwood +4
Accurate simulations of vibrational molecular spectra are expensive on conventional computers. Compared to the electronic structure problem, the vibrational structure problem with…
Quantum Computing for High-Energy Physics: State of the Art and Challenges. Summary of the QC4HEP Working Group
Alberto Di Meglio, Karl Jansen, Ivano Tavernelli +43
Quantum computers offer an intriguing path for a paradigmatic change of computing in the natural sciences and beyond, with the potential for achieving a so-called quantum advantage…
Conditions for a quadratic quantum speedup in nonlinear transforms with applications to energy contract pricing
Gabriele Agliardi, Corey O'Meara, Kavitha Yogaraj +8
Computing nonlinear functions over multilinear forms is a general problem with applications in risk analysis. For instance in the domain of energy economics, accurate and timely ri…
Variational Benchmarks for Quantum Many-Body Problems
Dian Wu, Riccardo Rossi, Filippo Vicentini +30
The continued development of computational approaches to many-body ground-state problems in physics and chemistry calls for a consistent way to assess its overall progress. In this…
Hierarchical Clifford transformations to reduce entanglement in quantum chemistry wavefunctions
Ryan V. Mishmash, Tanvi P. Gujarati, Mario Motta +3
The performance of computational methods for many-body physics and chemistry is strongly dependent on the choice of basis used to cast the problem; hence, the search for better bas…