Prospects of Quantum Computing for Molecular Sciences
- URL: http://arxiv.org/abs/2102.10081v2
- Date: Mon, 17 May 2021 16:14:35 GMT
- Title: Prospects of Quantum Computing for Molecular Sciences
- Authors: Hongbin Liu, Guang Hao Low, Damian S. Steiger, Thomas H\"aner, Markus
Reiher, Matthias Troyer
- Abstract summary: Molecular science is governed by the dynamics of electrons, atomic nuclei, and their interaction with electromagnetic fields.
A reliable physicochemical understanding of these processes is crucial for the design and synthesis of chemicals and materials of economic value.
We focus on the potential of quantum computing for solving relevant problems in the molecular sciences.
- Score: 3.203102206226439
- License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
- Abstract: Molecular science is governed by the dynamics of electrons, atomic nuclei,
and their interaction with electromagnetic fields. A reliable physicochemical
understanding of these processes is crucial for the design and synthesis of
chemicals and materials of economic value. Although some problems in this field
are adequately addressed by classical mechanics, many require an explicit
quantum mechanical description. Such quantum problems represented by
exponentially large wave function should naturally benefit from quantum
computation on a number of logical qubits that scales only linearly with system
size. In this perspective, we focus on the potential of quantum computing for
solving relevant problems in the molecular sciences -- molecular physics,
chemistry, biochemistry, and materials science.
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