Hokkaido University Institute for Chemical Reaction Design and Discovery

Research Outline

My research interests lie in chemical reaction dynamics, kinetics, and networks. I’m working on several research projects related to the development of novel methods for generating and analyzing chemical reaction networks. The details of the projects are as follows.
(a) Development of a theoretical framework for understanding complicated nonadiabatic chemical reaction dynamics from the point of view of chemical reaction networks based on phase space geometry and semiclassical mechanics
(b) Development of automated methods for generating chemical reaction networks that take dynamic effects into account based on phase space geometry and ab initio molecular dynamics
(c) Development of fast computational methods for analyzing and designing large-scale chemical reaction networks using Ising machines
(d) Development of efficient methods for generating chemical reaction networks using quantum computers, Ising machines, and reinforcement learning (under planning)

Representative Research Achievements

• Power-law decay in the nonadiabatic photodissociation dynamics of alkali halides due to quantum wavepacket interference
  Y. Mizuno* and K. Hukushima, J. Chem. Phys., 2018, 149, 174313
  DOI: 10.1063/1.5048957
• Nonadiabatic dynamics in intense continuous wave laser fields and real-time observation of the associated wavepacket bifurcation in terms of spectrogram of induced photon emission
  Y. Mizuno, Y. Arasaki, and K. Takatsuka*, J. Chem. Phys., 2016, 145, 184305
  DOI: 10.1063/1.4966965
• Stark-assisted quantum confinement of wavepackets. A coupling of nonadiabatic interaction and CW-laser
  Y. Arasaki, Y. Mizuno, S. Scheit, and K. Takatsuka*, J. Chem. Phys., 2016, 144, 044107
  DOI: 10.1063/1.4940341
• A perturbation theoretic approach to the Riccati equation for the Floquet energies, spectral intensities, and cutoff energy of harmonic generation in photon emission from nonadiabatic electron-transfer dynamics driven by infrared CW laser fields
  Y. Mizuno, Y. Arasaki, and K. Takatsuka*, J. Chem. Phys., 2016, 144, 024106
  DOI: 10.1063/1.4939580