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Book Chapter

Optimal Laser Control of Chemical Reactions Using AD

  • Ben-Haj-Yedder A
  • Cances E
  • Le Bris C
Springer New York, (2002), 205-211
DOI: 10.1007/978-1-4613-0075-5_24
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Abstract

This chapter presents an application of automatic differentiation to a control problem from computational quantum chemistry. The goal is to control the orientation of a linear molecule by using a designed laser pulse. In order to optimize the shape of the pulse we experiment with a nonlinear conjugate gradient algorithm as well as various stochastic procedures. Work in progress on robust control is also mentioned.

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Ben-Haj-Yedder, A., Cances, E., & Le Bris, C. (2002). Optimal Laser Control of Chemical Reactions Using AD. In Automatic Differentiation of Algorithms (pp. 205–211). Springer New York. https://doi.org/10.1007/978-1-4613-0075-5_24

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