Resarch Activity

Members Resarch Activity Access

2D Vib. Spectroscopy nonlinear optics Chemical Reaction Q. Thermodynamics Frustrated systems Organic conductors HEOM Path Integrals Molecular Dynamics Stochastic Theory Monte Carlo quantum chemistry

Sorted by objects

  1. Multidimensional Vibrational Spectroscopy: Theories of 2D Raman, 2D IR, 2D THz-Raman, etc.
  2. Nonlinear optical processes (including 2DES and 2DEVS):　Theories of pump-probe, photon echo, two-dimensional electronic spectroscopies etc.
  3. Proton, electron, and exciton transfer processes:　proton, electron, and exciton transfer processes and conversion between them. 
  4. Quantum thermodynamics, quantum information, and quantum transport: Quantum ratchet, resonant tunneling diodes, heat-transport, quantum heat-engine etc.
  5. Frustrated systems:　Studies of molecular systems coupled to spin glass environments
  6. Organic conductors:　Quantum chemistry calculations and modeling of the BEDT-TTF and DCNQI molecules.

Sorted by methodologies

bullet Hierarchy equations approach to quantum dissipative dynamics: non-perturbative & non-Markovian quantum Fokker-Planck and master equations.
bullet Molecular Dynamics simulations for multi-dimensional spectroscopies: Calculating and analyzing multidimensional spectroscopy
bullet Stochastic theory: Stochastic theory and its applications
bullet Path Integral methods:　Analytical calculations using the influence functional, variational principles, and perturbative expansion.
bullet Monte Carlo Simulations:　Frustrated systems, single molecular detection, quantum spin glass
bullet Quantum chemistry calculations:  Resonating Hartree-Fock Method, Biorthogonal approach for explicitly correlated calculations

Lecture Notes

bulletLecture note on Learn Schrödinger, Dirac & Feynman formalisms in 90 minutes + Lagrangean (Zip file, Oct 24 2024)
bulletLecture note on reduced hierarchy equations of motion: Theory  (Zip file, Oct. 24 2024)
bulletLecture note on reduced hierarchy equations of motion: Applications   (Zip file, Oct 8 2023)
bulletLecture note on the theory of multidimensional vibrational spectroscopy  (Zip file, Sept 10 2023)
bulletLecture note on the theory of multidimensional electronic spectroscopy  (Zip file, Sept 10 2023)

Program Codes
bullet Markovian2005 (Gaussian-Markovian master equation for a spin system coupled to 3D anisotropic baths)
bullet nonMarkovian2009 (with low temperature correction terms,   Jan 12, 2011 version)
bullet nonMarkovian2009+2D (with low temperature correction terms+ subroutines for linear and 2D correlation spectra,  Oct. 3rd, 2012 version)
bullet nonMarkovian2012+2D (Drude+Brownian mode)
bullet TanimuranFP15 (real-time and imaginary-time quantum hierarchal Fokker-Planck equations,   March 21 , 2015 version)
bullet GPU-HEOM  (HEOM code for CUDA) M. Tsuchimoto and Y. Tanimura, J. Chem. Theory Comput.,11, 3859 (2015).
bullet Charge Flow Charge transfer dipole-induced-dipole (CFCT-DID) Polarizability function for water program (Bug fixed)  H. Ito, T. Hasegawa, and Y. Tanimura, Effects of intermolecular charge transfer in liquid water on Raman spectra, J. Phys. Chem. Lett. 7, 4147-4151 (2016).
bullet Low-temperature corrected quantum Fokker-Planck and multi-state quantum Fokker-Planck Eqs. T. Ikeda and Y. Tanimura, J. Chem. Theory Comput. 15 (2019).

Thermodynamic Quantum Fokker-Planck Equation (T-QFPE). Ver, 1,1 (Oct. 21, 2024);S. Koyanagi and Y.  Tanimura,  J. Chem. Phys. 161, 112501 (2024).(PDF)

Hierarchical Equations of Motion for the Multiple Baths (HEOM-MB). Ver. 1.0 (Oct. 17, 2024); J. Chem. Phys. 161, 162501 (2024).(PDF)

　

Switch to Japanese