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Quantum mechanics describes the unitary time evolution of isolated systems. In reality, every quantum system interacts with its environment, leading to an irreversible loss of the phase relation. Path integral based methods provide a…
We consider the problem of decoherence and relaxation of open bosonic quantum systems from a perspective alternative to the standard master equation or quantum trajectories approaches. Our method is based on the dynamics of expectation…
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…
Thermodynamic principles are often deceptively simple and yet surprisingly powerful. We show how a simple rule, such as the net flow of energy in and out of a moving atom under nonequilibrium steady state condition, can expose the…
Recent studies have pointed out the intrinsic dependence of figures of merit of thermodynamic relevance -- such as work, heat and entropy production -- on the amount of quantum coherences that is made available to a system. However, whether…
Identifying universal properties of non-equilibrium quantum states is a major challenge in modern physics. A fascinating prediction is that classical hydrodynamics emerges universally in the evolution of any interacting quantum system.…
Quantum thermodynamics allows for the interconversion of quantum coherence and mechanical work. Quantum coherence is thus a potential physical resource for quantum machines. However, formulating a general nonequilibrium thermodynamics of…
Quantum theory provides an extensive framework for the description of the equilibrium properties of quantum matter. Yet experiments in quantum simulators have now opened up a route towards generating quantum states beyond this equilibrium…
A technique is presented for treating strongly nonstationary and transient processes in optics, permitting one to take into account both types of competing with each other effects, quantum as well as coherent. The main equations for…
A three level quantum system interacting with nonequilibrium environment is investigated. The stationary state of the system is found (both for non-coherent and coherent environment) and relaxation and decoherence to the stationary state is…
Simulations of scattering processes are essential in understanding the physics of our universe. Computing relevant scattering quantities from ab initio methods is extremely difficult on classical devices because of the substantial…
Revealing possible long-living coherence in ultrafast processes allows detecting genuine quantum mechanical effects in molecules. To investigate such effects from a quantum chemistry perspective, we have developed a method for simulating…
A thermodynamically consistent particle-based model for fluid dynamics with continuous velocities and a non-ideal equation of state is presented. Excluded volume interactions are modeled by means of biased stochastic multiparticle…
Microscopic thermal machines promise to play an important role in future quantum technologies. Making such devices widely applicable will require effective strategies to channel their output into easily accessible storage systems like…
Quantum calculations are performed for an anion water cluster representing the first hydration shell of the solvated electron in solution. The absorption spectra from the ground state, the instant excited states and the relaxed excited…
The simple algorithm for the simulation and visualization of non relativistic quantum dynamics is proposed that is based on a collective behavior of classical particles. Any quantum particle is represented as the swarm of its classical…
The concept of quantum phase transitions (QPT) plays a central role in the description of condensed matter systems. In this contribution, we perform high-quality wavefunction-based simulations to demonstrate the existence of a quantum phase…
While quantum simulation is one of the most promising applications of modern quantum devices, accessible simulation times are fundamentally limited by finite coherence times due to omnipresent noise. Based on the ideas of relational…
For a system to qualify as a quantum fluid, quantum-statistical effects should operate in addition to quantum-mechanical ones. Here, we address the hitherto unexplored dynamical condition for the quantum-statistical effects to be…
We implement a rare-event sampling scheme for quantifying the rate of thermally-activated nonadiabatic transitions in the condensed phase. Our QM/MM methodology uses the recently developed INAQS package to interface between an elementary…