Sequential optical response suppression for chemical mixture characterization

Magann, Alicia B.; McCaul, Gerard; Rabitz, Herschel A.; Bondar, Denys I.

doi:10.22331/q-2022-01-20-626

Title: Sequential optical response suppression for chemical mixture characterization

Journal Article · Thu Jan 20 00:00:00 EST 2022 · Quantum

DOI:https://doi.org/10.22331/q-2022-01-20-626· OSTI ID:1902763

Magann, Alicia B. ^[1]; McCaul, Gerard ^[2]; Rabitz, Herschel A. ^[3]; Bondar, Denys I. ^[2]

Department of Chemical & Biological Engineering, Princeton University, Princeton, New Jersey 08544, USA, Center for Computing Research, Sandia National Laboratories, Albuquerque, New Mexico 87185, USA
Department of Physics, Tulane University, New Orleans, LA 70118, USA
Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA

The characterization of mixtures of non-interacting, spectroscopically similar quantum components has important applications in chemistry, biology, and materials science. We introduce an approach based on quantum tracking control that allows for determining the relative concentrations of constituents in a quantum mixture, using a single pulse which enhances the distinguishability of components of the mixture and has a length that scales linearly with the number of mixture constituents. To illustrate the method, we consider two very distinct model systems: mixtures of diatomic molecules in the gas phase, as well as solid-state materials composed of a mixture of components. A set of numerical analyses are presented, showing strong performance in both settings.

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Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC); US Army Research Office (ARO); US Air Force Office of Scientific Research (AFOSR)

Grant/Contract Number:: FG02-97ER25308; FG02-02ER1534; NA0003525; W911NF-16-1-0014; W911NF-19-1-0382; FG02-02ER15344; FA9550-16-1-0254; W911NF-19-1-0377

OSTI ID:: 1902763

Alternate ID(s):: OSTI ID: 1882867

Report Number(s):: SAND2022-0139J; 626

Journal Information:: Quantum, Journal Name: Quantum Vol. 6; ISSN 2521-327X

Publisher:: Verein zur Forderung des Open Access Publizierens in den QuantenwissenschaftenCopyright Statement

Country of Publication:: Austria

Language:: English

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