Journal article
Mapping Quantum Chemical Dynamics Problems to Spin-Lattice Simulators
Abstract
The accurate computational determination of chemical, materials, biological, and atmospheric properties has a critical impact on a wide range of health and environmental problems, but is deeply limited by the computational scaling of quantum mechanical methods. The complexity of quantum chemical studies arises from the steep algebraic scaling of electron correlation methods and the exponential scaling in studying nuclear dynamics and molecular …
Authors
Saha D; Iyengar SS; Richerme P; Smith JM; Sabry A
Journal
Journal of Chemical Theory and Computation, Vol. 17, No. 11, pp. 6713–6732
Publisher
American Chemical Society (ACS)
Publication Date
November 9, 2021
DOI
10.1021/acs.jctc.1c00688
ISSN
1549-9618