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5 papers
Isotope Effects in 2D correlation infrared Spectra of Water: HEOM Analysis of Molecular Dynamics-Based Machine Learning Models
Kwanghee Park, Ryotaro Hoshino, Yoshitaka Tanimura
We model, simulate, and analyze the intramolecular modes of liquid H2O and D2O to elucidate how energy excitation, relaxation, and vibrational dephasing interplay through anharmoni…
HEOM-Based Numerical Framework for Quantum Simulation of Two-Dimensional Vibrational Spectra in Molecular Liquids (HEOM-2DVS)
Ryotaro Hoshino, Yoshitaka Tanimura
The multi-mode anharmonic Brownian motion model provides a universal framework for simulating molecular vibrations in condensed phases. When vibrational energy surpasses thermal ex…
A Multimode Classical Hierarchical Fokker-Planck Equations Approach to Molecular Vibrations: Simulating Two-Dimensional Spectra
Ryotaro Hoshino, Yoshitaka Tanimura
The multimode Brownian model with nonlinear system-bath coupling offers a flexible framework for studying both intra- and intermolecular vibrational modes in condensed-phase molecu…
Quantum hierarchical Fokker-Planck equations with U(1) gauge fields: Application to the Aharonov-Bohm ring
Hyeonseok Yang, Shoki Koyanagi, Yoshitaka Tanimura
We investigate a three-dimensional subsystem under a time-dependent U(1) gauge field coupled to rotationally invariant environments. To capture the dynamic behavior of the subsyste…
Analysis of intramolecular modes of liquid water in two-dimensional spectroscopy: a classical hierarchical equations of motion approach
Ryotaro Hoshino, Yoshitaka Tanimura
Two-dimensional (2D) vibrational spectroscopy is a powerful means of investigating the structure and dynamics of complex molecules in condensed phases. However, even in theory, ana…