About Me

Kentaro HINO

2024-11-02

History

Year	Event
1999	Born in Yokohama, Japan
2017~2021	B.S. in Science, Faculty of Science, Kyoto University
2021~2023	M.S. in Science, Department of Chemistry, Graduate School of Science, Kyoto University
2023~2026 (to be)	Ph.D. in Science, Department of Chemistry, Graduate School of Science, Kyoto University
2023~2026	JSPS Research Fellow (DC1)
2023	QunaSys Inc. (Intern), Research about quantum computing
2024	MC Digital Inc. (Intern), Data science for HR
2024	Preferred Networks, Inc. (Intern), Research about machine learning molecular potential

Research (1/2)

First-principle simulation of nuclear dynamics \[ i\hbar\frac{\partial}{\partial t}\left|\Psi(\mathbf{Q}, t)\right\rangle = \left[\hat{T}+V(\mathbf{Q}))\right]\left|\Psi(\mathbf{Q}, t)\right\rangle \]

Numerical exact solution is possible in only a few dimensions.

Potential landscape and finite element grid

Time evolution of wavepacket

Eigenstates of the Hamiltonian

Research (2/2)

• How the global ab initio potential \(V(\mathbf{Q})\) is defined?
• How the Schrödinger equation in exponential dimension space is solved?

My research: Developing theory to address these difficulties using tensor network (low-rank approximation).

• KH et al., J. Chem. Theory Comput. 2022
  • Finding low entangled coordinates \(\mathbf{Q}\) for nuclear dynamics
• KH et al., J. Chem. Theory Comput. 2024
  • Encoding potential to multiplicative form \(V(\mathbf{Q})\Psi(\mathbf{Q})\)
• KH et al., 2024
  • Wavefunction friendly tensor learning potential

Skills & Developments

Computational Chemistry

• Electronic structure calculation (Gaussian16, ORCA, BAGEL, VASP etc.)

• Nuclear dynamics simulation (wavepacket, nonadiabatic MD etc.)

Programming

• Python, Julia, C++, Rust

• Linux HPC server (PBS, LDAP, NFS, PXE Boot, Docker, Singularity, k8s, etc)

• Library developments

  • Machine Learning potential
  • Numerical grid simulation
  • Tensor network wavepacket
  • 3D Visualizer