Molecular ratchets and kinetic asymmetry: Giving chemistry direction
Over the last two decades ratchet mechanisms have transformed the understanding and
design of stochastic molecular systems—biological, chemical and physical—in a move away …
design of stochastic molecular systems—biological, chemical and physical—in a move away …
[HTML][HTML] Numerically “exact” approach to open quantum dynamics: The hierarchical equations of motion (HEOM)
Y Tanimura - The Journal of chemical physics, 2020 - pubs.aip.org
An open quantum system refers to a system that is further coupled to a bath system
consisting of surrounding radiation fields, atoms, molecules, or proteins. The bath system is …
consisting of surrounding radiation fields, atoms, molecules, or proteins. The bath system is …
Excited-state dynamics simulations of a light-driven molecular motor in solution
Molecular motors, where light can be transformed into motion, are promising in the design of
nanomechanical devices. For applications, however, finding relationships between …
nanomechanical devices. For applications, however, finding relationships between …
Excited state dynamics in unidirectional photochemical molecular motors
Unidirectional photochemically driven molecular motors (PMMs) convert the energy of
absorbed light into continuous rotational motion. As such they are key components in the …
absorbed light into continuous rotational motion. As such they are key components in the …
Control of Photoconversion Yield in Unidirectional Photomolecular Motors by Push–Pull Substituents
Molecular motors based on the overcrowded alkene motif convert light energy into
unidirectional mechanical motion through an excited state isomerization reaction. The …
unidirectional mechanical motion through an excited state isomerization reaction. The …
Thermodynamic quantum Fokker–Planck equations and their application to thermostatic Stirling engine
S Koyanagi, Y Tanimura - The Journal of Chemical Physics, 2024 - pubs.aip.org
We developed a computer code for the thermodynamic quantum Fokker–Planck equations
(T-QFPE), derived from a thermodynamic system–bath model. This model consists of an …
(T-QFPE), derived from a thermodynamic system–bath model. This model consists of an …
Collective bath coordinate map** of “hierarchy” in hierarchical equations of motion
The theory of hierarchical equations of motion (HEOM) is one of the standard methods to
give exact evaluations of the dynamics as coupled to harmonic oscillator environments …
give exact evaluations of the dynamics as coupled to harmonic oscillator environments …
[HTML][HTML] Simulating conical intersection dynamics in the condensed phase with hybrid quantum master equations
We present a framework for simulating relaxation dynamics through a conical intersection of
an open quantum system that combines methods to approximate the motion of degrees of …
an open quantum system that combines methods to approximate the motion of degrees of …
Modeling and simulating the excited-state dynamics of a system with condensed phases: A machine learning approach
S Ueno, Y Tanimura - Journal of Chemical Theory and …, 2021 - ACS Publications
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 of …
poses a nontrivial challenge. Because the irreversibility of the system dynamics is a result of …
Substituent effects on first generation photochemical molecular motors probed by femtosecond stimulated Raman
Unidirectional photochemical molecular motors can act as a power source for molecular
machines. The motors operate by successive excited state isomerization and ground state …
machines. The motors operate by successive excited state isomerization and ground state …