Application of Optimal Control Theory to Fourier Transform Ion Cyclotron Resonance
- Resource Type
- Authors
- Steffen J. Glaser; Dominique Sugny; V. Martikyan; Camille Beluffi; Marc-André Delsuc
- Source
- Molecules
Volume 26
Issue 10
Molecules, Vol 26, Iss 2860, p 2860 (2021)
Molecules (Basel, Switzerland), vol 26, iss 10
Molecules, MDPI, 2021, 26 (10), pp.2860. ⟨10.3390/molecules26102860⟩
Molecules, 2021, 26 (10), pp.2860. ⟨10.3390/molecules26102860⟩
- Subject
- Cyclotron
Pharmaceutical Science
Organic chemistry
02 engineering and technology
[INFO] Computer Science [cs]
01 natural sciences
Fourier transform ion cyclotron resonance
Article
Analytical Chemistry
law.invention
Ion
Medicinal and Biomolecular Chemistry
optimal control
QD241-441
Ion Cyclotron Resonance
law
Theoretical and Computational Chemistry
Physics::Plasma Physics
0103 physical sciences
Drug Discovery
[INFO]Computer Science [cs]
Physical and Theoretical Chemistry
010306 general physics
Adiabatic process
Physics
Organic Chemistry
021001 nanoscience & nanotechnology
Optimal control
atomic_molecular_physics
Computational physics
Chemistry (miscellaneous)
Excited state
Molecular Medicine
robust protocol
0210 nano-technology
Excitation
Ion cyclotron resonance
- Language
- English
- ISSN
- 1420-3049
International audience; We study the application of Optimal Control Theory to Ion Cyclotron Resonance. We test the validity and the efficiency of this approach for the robust excitation of an ensemble of ions with a wide range of cyclotron frequencies. Optimal analytical solutions are derived in the case without any pulse constraint. A gradient-based numerical optimization algorithm is proposed to take into account limitation in the control intensity. The efficiency of optimal pulses is investigated as a function of control time, maximum amplitude and range of excited frequencies. A comparison with adiabatic and SWIFT pulses is done. On the basis of recent results in Nuclear Magnetic Resonance, this study highlights the potential usefulness of optimal control in Ion Cyclotron Resonance.