Related papers: Robust quantization of a molecular motor motion in…
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 dissipative environment. The rotational motion of the motor…
Simulations can help unravel the complicated ways in which molecular structure determines function. Here, we use molecular simulations to show how slight alterations of a molecular motor's structure can cause the motor's typical dynamical…
It is known that the conductance of a quantum point contact is quantized in units of $2e^2/h$ and this quantization is destroyed by a non-adiabatic scatterer in the point contact, due to backscattering. Recently, it was shown [Phys. Rev.…
Quantum pumping in closed systems is considered. We explain that the Kubo formula contains all the physically relevant ingredients for the calculation of the pumped charge ($Q$) within the framework of linear response theory. The relation…
A quantum-mechanical Gaussian wave-packet approach to the theoretical description of nuclear motions in a condensed-phase environment is developed. General expressions for the time-dependent reduced density matrix are given for a harmonic…
Molecular machines are stochastic systems that catalyze the energetic processes keeping living cells alive and structured. Inspired by the examples of F1-ATP synthase and the bacterial flagellum, we present a minimal model of an externally…
Computational prediction of enzyme mechanism and protein function requires accurate physics-based models and suitable sampling. We discuss recent advances in large-scale quantum mechanical (QM) modeling of biochemical systems that have…
We present quantum heat machines using a diatomic molecule modelled by a $q$-deformed potential as a working medium. We analyze the effect of the deformation parameter and other potential parameters on the work output and efficiency of the…
Modal quantum theory (MQT) is a "toy model" of quantum theory in which amplitudes are elements of a general field. The theory predicts, not the probabilities of a measurement result, but only whether or not a result is possible. In this…
We show that non-relativistic Quantum Mechanics can be faithfully represented in terms of a classical diffusion process endowed with a gauge symmetry of group Z_4. The representation is based on a quantization condition for the realized…
Dynamic properties of molecular motors that fuel their motion by actively interacting with underlying molecular tracks are studied theoretically via discrete-state stochastic ``burnt-bridge'' models. The transport of the particles is viewed…
Periodically-driven systems are ubiquitous in science and technology. In quantum dynamics, even a small number of periodically-driven spins leads to complicated dynamics. Hence, it is of interest to understand what constraints such dynamics…
Hybrid quantum-classical systems make it possible to utilize existing quantum computers to their fullest extent. Within this framework, parameterized quantum circuits can be regarded as machine learning models with remarkable expressive…
We use machine learning to enable large-scale molecular dynamics (MD) of a correlated electron model under the Gutzwiller approximation scheme. This model exhibits a Mott transition as a function of on-site Coulomb repulsion $U$. The…
Routinely navigating through an ever-changing and unsteady environment, and utilizing chemical energy, molecular motors transport the cell's crucial components, such as neurotransmitters and organelles. They generate force and pull cargo,…
We investigate the transport properties of the Holstein model using the numerically exact quantum typicality (QT) approach. Roughly speaking, QT exploits the fact that even a single, randomly chosen pure state can effectively represent the…
When parameters are varied periodically, charge can be pumped through a mesoscopic conductor without applied bias. Here, we consider the inverse effect in which a transport current drives a periodic variation of an adiabatic degree of…
We formulate an exact result, which we refer to as the pumping restriction theorem (PRT). It imposes strong restrictions on the currents generated by periodic driving in a generic dissipative system with detailed balance. Our theorem…
Many single molecule experiments for molecular motors comprise not only the motor but also large probe particles coupled to it. The theoretical analysis of these assays, however, often takes into account only the degrees of freedom…
Large language models (LLMs) are increasingly deployed on mobile devices, where Neural Processing Units (NPUs) necessitate fully static quantization for optimal inference efficiency. However, existing post-training quantization (PTQ)…