Walking through Hilbert Space with Quantum Computers DOI
Tong Jiang, Jinghong Zhang, Moritz K. A. Baumgarten

et al.

Chemical Reviews, Journal Year: 2025, Volume and Issue: unknown

Published: May 2, 2025

Computations of chemical systems' equilibrium properties and nonequilibrium dynamics have been suspected being a "killer app" for quantum computers. This review highlights the recent advancements algorithms tackling complex sampling tasks in key areas computational chemistry: ground state, thermal state properties, calculations. We broad range algorithms, from hybrid quantum-classical to fully quantum, focusing on traditional Monte Carlo family, including Markov chain Carlo, variational projector path integral etc. also cover other relevant techniques involving tasks, such as quantum-selected configuration interaction, minimally entangled typical states, entanglement forging, Carlo-flavored Lindbladian dynamics. provide comprehensive overview these algorithms' classical counterparts, detailing their theoretical frameworks discussing potentials challenges achieving advantages.

Language: Английский

Walking through Hilbert Space with Quantum Computers DOI
Tong Jiang, Jinghong Zhang, Moritz K. A. Baumgarten

et al.

Chemical Reviews, Journal Year: 2025, Volume and Issue: unknown

Published: May 2, 2025

Computations of chemical systems' equilibrium properties and nonequilibrium dynamics have been suspected being a "killer app" for quantum computers. This review highlights the recent advancements algorithms tackling complex sampling tasks in key areas computational chemistry: ground state, thermal state properties, calculations. We broad range algorithms, from hybrid quantum-classical to fully quantum, focusing on traditional Monte Carlo family, including Markov chain Carlo, variational projector path integral etc. also cover other relevant techniques involving tasks, such as quantum-selected configuration interaction, minimally entangled typical states, entanglement forging, Carlo-flavored Lindbladian dynamics. provide comprehensive overview these algorithms' classical counterparts, detailing their theoretical frameworks discussing potentials challenges achieving advantages.

Language: Английский

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