209 citations · 1.6k across the 43 of their papers we have counts for
43 papers
Coherent two-dimensional THz magnetic resonance spectroscopies for molecular magnets: Analysis of Dzyaloshinskii-Moriya interaction
Jiaji Zhang, Yoshitaka Tanimura
To investigate the novel quantum dynamic behaviors of magnetic materials that arise from complex spin-spin interactions, it is necessary to probe the magnetic response at a speed g…
Discretized hierarchical equations of motion in mixed Liouville--Wigner space for two-dimensional vibrational spectroscopies of liquid water
Hideaki Takahashi, Yoshitaka Tanimura
A model of a bulk water system describing the vibrational motion of intramolecular and intermolecular modes is constructed, enabling analysis of its linear and nonlinear vibrationa…
Simulating two-dimensional correlation spectroscopies with third-order infrared and fifth-order infrared--Raman processes of liquid water
Hideaki Takahashi, Yoshitaka Tanimura
To investigate the possibility of measuring the intermolecular and intramolecular anharmonic coupling of balk water, we calculate third-order two-dimensional (2D) infrared (IR) spe…
The laws of thermodynamics for quantum dissipative systems: A quasi-equilibrium Helmholtz energy approach
Shoki Koyanagi, Yoshitaka Tanimura
Using the quasi-equilibrium Helmholtz energy (qHE), defined as the thermodynamic work in a quasi-static process, we investigate the thermal properties of both an isothermal process…
Numerically "exact" simulations of a quantum Carnot cycle: Analysis using thermodynamic work diagrams
Shoki Koyanagi, Yoshitaka Tanimura
We investigate the efficiency of a quantum Carnot engine based on open quantum dynamics theory. The model includes time-dependent external fields for the subsystems controlling the…
Open quantum dynamics theory for a complex subenvironment system with a quantum thermostat: Application to a spin heat bath
Kiyoto Nakamura, Yoshitaka Tanimura
Complex environments, such as molecular matrices and biological material, play a fundamental role in many important dynamic processes in condensed phases. Because it is extremely d…
Autobiography of Yoshitaka Tanimura
Yoshitaka Tanimura
In this paper, two developments, the theory of hierarchical equations of motion (HEOM) for open quantum dynamics systems and the theory of ultrafast nonlinear two-dimensional (2D)…
Optical response of laser-driven charge-transfer complex described by Holstein-Hubbard model coupled to heat baths: Hierarchical equations of motion approach
Kiyoto Nakamura, Yoshitaka Tanimura
We investigate the optical response of a charge-transfer complex in a condensed phase driven by an external laser field. Our model includes an instantaneous short-range Coulomb int…
Open quantum dynamics theory on the basis of periodical system-bath model for discrete Wigner function
Yuki Iwamoto, Yoshitaka Tanimura
Discretizing a distribution function in a phase space for an efficient quantum dynamics simulation is a non-trivial challenge, in particular for a case that a system is further cou…
Modeling and simulating the excited-state dynamics of a system with condensed phases: A machine learning approach
Seiji Ueno, Yoshitaka Tanimura
Simulating the irreversible quantum dynamics of exciton and electron transfer problems poses a nontrivial challenge. Because the irreversibility of the system dynamics is a result…
Full molecular dynamics simulations of molecular liquids for single-beam spectrally controlled two-dimensional Raman spectroscopy
Ju-Yeon Jo, Yoshitaka Tanimura
Single-beam spectrally controlled (SBSC) two-dimensional (2D) Raman spectroscopy is a unique 2D vibrational measurement technique utilizing trains of short pulses that are generate…
Probing photoinduced proton coupled electron transfer process by means of two-dimensional resonant electronic-vibrational spectroscopy
Jiaji Zhang, Raffaele Borrelli, Yoshitaka Tanimura
We develop a detailed theoretical model of photo-induced proton-coupled electron transfer (PPCET) processes, which are at the basis of solar energy harvesting in biological systems…
Open Quantum Dynamics Theory for Non-Equilibrium Work: Hierarchical Equations of Motion Approach
Souichi Sakamoto, Yoshitaka Tanimura
A system--bath (SB) model is considered to examine the Jarzynski equality in the fully quantum regime. In our previous paper [J. Chem. Phys. 153 (2020) 234107], we carried out "exa…
Exciton Transfer in Organic Photovoltaic Cells: A Role of Local and Nonlocal Electron-Phonon Interactions in a Donor Domain
Mauro Cainelli, Yoshitaka Tanimura
We theoretically investigate an exciton transfer process in a donor domain of organic photovoltaic cells focusing on the roles of local and nonlocal electron-phonon interactions. O…
Numerically "exact" simulations of entropy production in the fully quantum regime: Boltzmann entropy versus von Neumann entropy
Souichi Sakamoto, Yoshitaka Tanimura
We present a scheme to evaluate thermodynamic variables for a system coupled to a heat bath under a time-dependent external force using the quasi-static Helmholtz energy from the n…
Proton Tunneling in a Two-Dimensional Potential Energy Surface with a Non-linear System-Bath Interaction: Thermal Suppression of Reaction Rate
Jiaji Zhang, Raffaele Borrelli, Yoshitaka Tanimura
We consider a proton-transfer (PT) system described by a proton-transfer reaction (PTR) coordinate and a rate promoting vibrational (RPV) coordinate interacting with a non-Markovia…
Open Quantum Dynamics Theory of Spin Relaxation: Application to SR and Low-Field NMR Spectroscopies
Hideaki Takahashi, Yoshitaka Tanimura
An open quantum system refers to a system, which is in turn coupled to an environment that can describe time irreversible dynamics through which the system evolves toward the therm…
Modeling intermolecular and intramolecular modes of liquid water using multiple heat baths: Machine learning approach
Seiji Ueno, Yoshitaka Tanimura
The vibrational motion of molecules in dissipative environments, such as solvation and protein molecules, is composed of contributions from both intermolecular and intramolecular m…
Fast, accurate simulation of polaron dynamics and multidimensional spectroscopy by multiple Davydov trial states
Nengji Zhou, Lipeng Chen, Zhongkai Huang +3
By employing the Dirac-Frenkel time-dependent variational principle, we study the dynamical properties of the Holstein molecular crystal model with diagonal and off-diagonal excito…
Open Quantum Dynamics of a Three-Dimensional Rotor Calculated Using a Rotationally Invariant System-Bath Hamiltonian: Linear and Two-Dimensional Rotational Spectra
Yuki Iwamoto, Yoshitaka Tanimura
We consider a rotationally invariant system-bath (RISB) model in three-dimensional space that is described by a linear-rigid rotor independently coupled to three sets of harmonic-o…
Modeling and analyzing a photo-driven molecular motor system: Ratchet dynamics and non-linear optical spectra
Tatsushi Ikeda, Arend G. Dijkstra, Yoshitaka Tanimura
A light-driven molecular motor system is investigated using a multi-state Brownian ratchet model described by a single effective coordinate with multiple electronic states in a dis…
Low-Temperature Quantum Fokker-Planck and Smoluchowski Equations and Their Extension to Multistate Systems
Tatsushi Ikeda, Yoshitaka Tanimura
Simulating electron-nucleus coupled dynamics poses a non-trivial challenge and an important problem in the investigation of ultrafast processes involving coupled electronic and vib…
Linear Absorption Spectrum of a Quantum Two-Dimensional Rotator Calculated Using a Rotationally Invariant System-Bath Hamiltonian
Yuki Iwamoto, Yoshitaka Tanimura
We consider a two-dimensional rigid rotator system coupled to a two-dimensional heat bath. The Caldeira-Leggett (Brownian) model for the rotator and the spin-Boson model have been…
Phase-space wavepacket dynamics of internal conversion via conical intersection: Multi-state quantum Fokker-Planck equation approach
Tatsushi Ikeda, Yoshitaka Tanimura
We theoretically investigate internal conversion processes of a photoexcited molecule in a condensed phase. The molecular system is described by two-dimensional adiabatic ground an…