Researcher Database

Yuta Mizuno
Research Institute for Electronic Science Research Center of Mathematics for Social Creativity
Assistant Professor

Researcher Profile and Settings

Affiliation

  • Research Institute for Electronic Science Research Center of Mathematics for Social Creativity

Job Title

  • Assistant Professor

Degree

  • Ph.D.(2018/04 The University of Tokyo)

URL

Research funding number

  • 10846348

ORCID ID

J-Global ID

Profile

  • 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

Research Interests

  • Quantum Annealing   Quantum Computing   Phase Space Geometry   Nonadiabatic Dynamics   Chemical Reaction Networks   Quantum Dynamics   Chemical Reaction Dynamics   Theoretical Chemistry   

Research Areas

  • Informatics / Mathematical informatics
  • Natural sciences / Bio-, chemical, and soft-matter physics / Chemical Reaction Network
  • Nanotechnology/Materials / Basic physical chemistry / Theoretical chemistry

Academic & Professional Experience

  • 2020/11 - Today Japan Science and Technology Agency PRESTO Researcher (Concurrent)
  • 2019/08 - Today Hokkaido University Graduate School of Chemical Sciences and Engineering Assistant Professor (concurrent)
  • 2019/08 - Today Hokkaido University Institute for Chemical Reaction Design and Discovery Assistant Professor (concurrent)
  • 2019/08 - Today Hokkaido University Research Institute for Electronic Science Research Center of Mathematics for Social Creativity Assistant Professor
  • 2019/04 - 2019/07 Hokkaido University Institute for Chemical Reaction Design and Discovery Postdoctoral Fellow
  • 2018/05 - 2019/03 Japan Society for the Promotion of Science JSPS Research Fellow PD
  • 2017/04 - 2018/04 Japan Society for the Promotion of Science JSPS Research Fellow DC2

Education

  • 2015/04 - 2018/04  The University of Tokyo  Graduate School of Arts and Sciences  Department of Basic Science Ph.D. course
  • 2013/04 - 2015/03  The University of Tokyo  Graduate School of Arts and Sciences  Department of Basic Science Master course
  • 2011/04 - 2013/03  The University of Tokyo  College of Arts and Sciences Senior Division  Department of Basic Science Mathematical Science Course
  • 2009/04 - 2011/03  The University of Tokyo  College of Arts and Sciences Junior Division  Natural Sciences I

Association Memberships

  • THE CHEMICAL SOCIETY OF JAPAN   JAPAN SOCIETY OF THEORETICAL CHEMISTRY   JAPAN SOCIETY FOR MOLECULAR SCIENCE   THE PHYSICAL SOCIETY OF JAPAN   

Research Activities

Published Papers

  • Yuta Mizuno, Koji Hukushima
    The Journal of Chemical Physics AIP Publishing 149 (17) 174313-1 - 174313-6 2018/11/07 [Refereed][Not invited]
  • Yuta Mizuno, Yasuki Arasaki, Kazuo Takatsuka
    JOURNAL OF CHEMICAL PHYSICS 145 (18) 184305-1 - 184305-11 0021-9606 2016/11 [Refereed][Not invited]
     
    We propose a theoretical principle to directly monitor the bifurcation of quantum wavepackets passing through nonadiabatic regions of a molecule that is placed in intense continuous wave (CW) laser fields. This idea makes use of the phenomenon of laser-driven photon emission from molecules that can undergo nonadiabatic transitions between ionic and covalent potential energy surfaces like Li+ F- and LiF. The resultant photon emission spectra are of anomalous yet characteristic frequency and intensity, if pumped to an energy level in which the nonadiabatic region is accessible and placed in a CW laser field. The proposed method is designed to take the time-frequency spectrogram with an appropriate time-window from this photon emission to detect the time evolution of the frequency and intensity, which depends on the dynamics and location of the relevant nuclear wavepackets. This method is specifically designed for the study of dynamics in intense CW laser fields and is rather limited in scope than other techniques for femtosecond chemical dynamics in vacuum. The following characteristic features of dynamics can be mapped onto the spectrogram: (1) the period of driven vibrational motion (temporally confined vibrational states in otherwise dissociative channels, the period and other states of which dramatically vary depending on the CW driving lasers applied), (2) the existence of multiple nuclear wavepackets running individually on the field-dressed potential energy surfaces, (3) the time scale of coherent interaction between the nuclear wavepackets running on ionic and covalent electronic states after their branching (the so-called coherence time in the terminology of the theory of nonadiabatic interaction), and so on. Published by AIP Publishing.
  • Yasuki Arasaki, Yuta Mizuno, Simona Scheit, Kazuo Takatsuka
    JOURNAL OF CHEMICAL PHYSICS 144 (4) 044107-1 - 044107-10 0021-9606 2016/01 [Refereed][Not invited]
     
    When a nonadiabatic system that has an ionic state (large dipole moment) and a covalent state (small dipole moment) is located in a strong laser field, the crossing point of the two potential energy curves is forced to oscillate due to the oscillating laser field and to meet wavepackets moving on the potential curves many times. This leads to additional transitions between the two states, and under favorable conditions, the wavepacket may be confined in a spatial region rich in nonadiabatic interaction. In this paper, taking the LiF molecule system in a continuous-wave driving field as a prototypical example, the dynamical origins of the wavepacket confinement are theoretically investigated. (C) 2016 AIP Publishing LLC.
  • Yuta Mizuno, Yasuki Arasaki, Kazuo Takatsuka
    JOURNAL OF CHEMICAL PHYSICS 144 (2) 024106-1 - 024106-13 0021-9606 2016/01 [Refereed][Not invited]
     
    A complicated yet interesting induced photon emission can take place by a nonadiabatic intramolecular electron transfer system like LiF under an intense CW laser [Y. Arasaki, S. Scheit, and K. Takatsuka, J. Chem. Phys. 138, 161103 (2013)]. Behind this phenomena, the crossing point between two potential energy curves of covalent and ionic natures in diabatic representation is forced to oscillate, since only the ionic potential curve is shifted significantly up and down repeatedly (called the Dynamical Stark effect). The wavepacket pumped initially to the excited covalent potential curve frequently encounters such a dynamically moving crossing point and thereby undergoes very complicated dynamics including wavepacket bifurcation and deformation. Intramolecular electron transfer thus driven by the coupling between nonadiabatic state-mixing and laser fields induces irregular photon emission. Here in this report we discuss the complicated spectral features of this kind of photon emission induced by infrared laser. In the low frequency domain, the photon emission is much more involved than those of ultraviolet/visible driving fields, since many field-dressed states are created on the ionic potential, which have their own classical turning points and crossing points with the covalent counterpart. To analyze the physics behind the phenomena, we develop a perturbation theoretic approach to the Riccati equation that is transformed from coupled first-order linear differential equations with periodic coefficients, which are supposed to produce the so-called Floquet states. We give mathematical expressions for the Floquet energies, frequencies, and intensities of the photon emission spectra, and the cutoff energy of their harmonic generation. Agreement between these approximate quantities and those estimated with full quantum calculations is found to be excellent. Furthermore, the present analysis provides with notions to facilitate deeper understanding for the physical and mathematical mechanisms of the present photon emission. (C) 2016 AIP Publishing LLC.
  • Yasuki Arasaki, Yuta Mizuno, Simona Scheit, Kazuo Takatsuka
    JOURNAL OF CHEMICAL PHYSICS 141 (23) 234301-1 - 234301-14 0021-9606 2014/12 [Refereed][Not invited]
     
    When vibrational dynamics on an ionic state (large dipole moment) is coupled to that on a neutral state (small dipole moment) such as at an avoided crossing in the alkali halide system, the population transfer between the states cause oscillation of the molecular dipole, leading to dipole emission. Such dynamics may be driven by an external field. We study how the coupled wavepacket dynamics is affected by the parameters (intensity, frequency) of the driving field with the aim of making use of the photoemission as an alternative detection scheme of femtosecond and subfemtosecond vibrational and electronic dynamics or as a characteristic optical source. (C) 2014 AIP Publishing LLC.

Conference Activities & Talks

MISC

Awards & Honors

  • 2017/11 Japan Society for Molecular Science Best Poster Awards at the Annual Meeting of the Japan Society for Molecular Science
     高強度レーザー場中の非断熱ダイナミクスのネットワーク構造 
    受賞者: Yuta Mizuno
  • 2015/06 Japan Society of Theoretical Chemistry Best Presentation Awards at the Annual Meeting of the Japan Society of Theoretical Chemistry
     レーザー場によって駆動された非断熱ダイナミクスからの誘導輻射スペクトログラムによる核波束ダイナミクスの観測 
    受賞者: Yuta Mizuno

Research Grants & Projects

  • Japan Science and Technology Agency:Strategic Basic Research Programs PRESTO
    Date (from‐to) : 2020/11 -2024/03 
    Atoms and molecules are discrete entities that behave as particles, and chemical reactions can be considered as discrete events in which the combination of interatomic bonds changes. Due to this discreteness and combinatorial explosion, chemical reaction theory has problems that require a huge amount of computational resources in the conventional computing, such as stoichiometric reaction pathway analysis and stochastic kinetic analysis. In this project, I develop frameworks for efficiently solving these problems by quantum computing, contributing to the synergistic development of chemical reaction theory and quantum information processing technology.
  • Development of automated methods for generating chemical reaction networks based on phase space geometry
    Japan Society for the Promotion of Science:Grants-in-Aid for Scientific Research Grant-in-Aid for Early-Career Scientists
    Date (from‐to) : 2020/04 -2024/03 
    Author : Yuta Mizuno
     
    化学反応経路図は,反応機構の解明や反応速度・選択性の予測に不可欠な学術的基盤である.しかし,従来の反応経路図の作成法には,化学反応における分子の運動の効果を考慮していないという問題点がある.そこで本研究では,分子の運動を幾何学的観点から捉える数学的理論である相空間幾何学に基づき,分子の運動の効果も考慮した反応経路図自動作成プログラムを開発する.これにより,実在の化学反応の動力学的反応機構の系統的解明と反応速度・選択性の系統的予測のための学術的基盤の構築を目指す.
  • Japan Society for the Promotion of Science:Grants-in-Aid for Scientific Research Grant-in-Aid for JSPS Fellows
    Date (from‐to) : 2017/04 -2019/03 
    Author : Yuta Mizuno

Educational Activities

Teaching Experience

Social Contribution

Social Contribution

Social Contribution

Academic Contribution



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