相关论文: A Roadmap for Simulating Chemical Dynamics on a Pa…

We construct the velocity map images of the proton transfer reaction between helium and molecular hydrogen ions H2+. We perform simulations of imaging experiments at one representative total collision energy taking into account the inherent…

We introduce a scheme that exploits laser cooling and phonon-mediated spin-spin interactions in crystals of trapped atomic ions to explore the transport of energy through a quantum magnet. We show how to implement an effective transport…

Open quantum systems can undergo dissipative phase transitions, and their critical behavior can be exploited in sensing applications. For example, it can be used to enhance the fidelity of superconducting qubit readout measurements, a…

Biological molecular machines are proteins that operate under isothermal conditions hence are referred to as free energy transducers. They can be formally considered as enzymes that simultaneously catalyze two chemical reactions: the free…

The description of excited state dynamics in multichromophoric systems constitutes both a theoretical and experimental challenge in modern physical chemistry. An experimental protocol which can systematically characterize both coherent and…

The control and modeling of robot dynamics have increasingly adopted model-free control strategies using machine learning. Given the non-linear elastic nature of bionic robotic systems, learning-based methods provide reliable alternatives…

A numerical model is presented, designed to simulate the kinetic and thermal behaviour of a porous pellet in which any gas-solid reaction is taking place. Its novelty consists in the fact that it can deal with reactions whether they are…

Dynamic properties of molecular motors whose motion is powered by interactions with specific lattice bonds are studied theoretically with the help of discrete-state stochastic "burnt-bridge" models. Molecular motors are depicted as random…

We put forward a gauge-invariant theoretical framework for studying time-resolved thermoelectric transport in an arbitrary multiterminal electronic quantum system described by a non-interacting tight-binding model. The system is driven out…

Making use of the fact that the collective modes associated with the spontaneous (static and dynamic) violation of gauge invariance in atomic nuclei (pairing rotations and pairing vibrations) are amenable to a simple, quite accurate nuclear…

Traditional chemical kinetics may be inappropriate to describe chemical reactions in micro-domains involving only a small number of substrate and reactant molecules. Starting with the stochastic dynamics of the molecules, we derive a…

We have recently put forth several schemes of unconventional, nonlinearly-enabled thermodynamic (TD) devices that can operate in either the classical or the quantum domain by transforming thermal-state input in multiple uncorrelated modes…

A two quantum-dot device is coupled in parallel for studying the competition between the pseudo-spin Kondo effect and strongly hybridized molecular states. Cryogenic measurements are performed in the regime of weak coupling of the two dots…

Quantum algorithms have the potential to revolutionize our understanding of open quantum systems in chemistry. In this work, we demonstrate that a repeated interaction model, which could serve as the foundation for a digital quantum…

We consider multiple non-interacting quantum mechanical two-level systems coupled to a common bosonic bath and study its quantum phase transition with Monte Carlo simulations using a continuous imaginary time cluster algorithm. The common…

A quantum molecular model for fermions is investigated which works with antisymmetrized many-body states composed of localized single-particle wave packets. The application to the description of atomic nuclei and collisions between them…

Reaction diffusion systems describe the behaviour of dynamic, interacting, particulate systems. Quantum stochastic processes generalise Brownian motion and Poisson processes, having operator valued It\^{o} calculus machinery. Here it is…

Experimental realizations of a variety of atomic binary Bose-Fermi mixtures have brought opportunities for studying composite quantum systems with different spin-statistics. The binary atomic mixtures can exhibit a structural transition…

Catalyzing reactions effectively by vacuum fluctuations of electromagnetic fields is a significant challenge within the realm of chemistry. Different from most studies based on vibrational strong coupling, we introduce an innovative…

A central concern of molecular dynamics simulations are the potential energy surfaces that govern atomic interactions. These hypersurfaces define the potential energy of the system, and have generally been calculated using either predefined…