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We propose a method which combines the quantum-classical mapping approach to surface hopping (MASH) with the dissipative quantum dynamics of the Lindblad master equation. Like conventional surface-hopping methods, our approach is based on…
Although the quantum classical Liouville equation (QCLE) arises by cutting off the exact equation of motion for a coupled nuclear-electronic system at order 1 (1 = $\hbar^0$ ), we show that the QCLE does include Berry's phase effects and…
Quantum stochastic master equations of jump type are formulated in a general way and connections with quantum/classical hybrid systems and quantum filtering theory are discussed. By introducing the notion of ``typical trajectory", we show…
The relation between the distribution of work performed on a classical system by an external force switched on an arbitrary timescale, and the corresponding equilibrium free energy difference, is generalized to quantum systems. Using the…
A nonlinear quantum-classical transition wave equation is proposed for dissipative systems within the Caldirola-Kanai model. Equivalence of this transition equation to a scaled Schr\"{o}dinger equation is proved. The dissipative dynamics is…
We introduce a simple ansatz for the wavefunction of a many-body system based on coupled forward and backward-propagating semiclassical trajectories. This method is primarily aimed at, but not limited to, treating nonequilibrium dynamics in…
The variational method is a versatile tool for classical simulation of a variety of quantum systems. Great efforts have recently been devoted to its extension to quantum computing for efficiently solving static many-body problems and…
We propose a hybrid quantum-classical algorithm for the simulation of real-time dynamics in interacting quantum field theories coupled to classical fields, focusing on the self-consistent estimation of semiclassical backreaction. By…
The exact factorization of the time-dependent electron-nuclear wavefunction has been employed successfully in the field of quantum molecular dynamics simulations for interpreting and simulating light-induced ultrafast processes. In this…
Starting from the von Neumann equation, we construct the quantum evolution equation for the effective action for systems in mixed states. This allows us to find the hierarchy of equations which describe the time evolution of equal time…
Simulations that couple different classical molecular models in an adaptive way by changing the number of degrees of freedom on the fly, are available within reasonably consistent theoretical frameworks. The same does not occur when it…
We compare discrete-time quantum walks on graphs to their natural classical equivalents, which we argue are lifted Markov chains, that is, classical Markov chains with added memory. We show that these can simulate quantum walks, allowing us…
A novel technique to determine invariant curves in nonlinear beam dynamics based on the method of formal series has been developed. It is first shown how the solution of the Hamilton equations of motion describing nonlinear betatron…
Quantum simulation is widely regarded as one of the most promising routes to genuine quantum advantage, yet most existing approaches to quantum chemistry are formulated in terms of closed-system, unitary dynamics and ground-state…
We developed a general theoretical approach and a user-ready computer code that permit to study the dynamics of collisional energy transfer and ro-vibrational energy exchange in complex molecule-molecule collisions. The method is a mixture…
Many open quantum systems encountered in both natural and synthetic situations are embedded in classical-like baths. Often, the bath degrees of freedom may be represented in terms of canonically conjugate coordinates, but in some cases they…
I present a technical report indicating that the two methods used for calculating characteristic functions for the work distribution in weakly driven quantum master equations are equivalent. One involves applying the notion of quantum jump…
A strong analog classical simulation of general quantum evolution is proposed, which serves as a novel scheme in quantum computation and simulation. The scheme employs the approach of geometric quantum mechanics and quantum informational…
We expand the solutions of linearly coupled Mathieu equations in terms of infinite-continued matrix inversions, and use it to find the modes which diagonalize the dynamical problem. This allows obtaining explicitly the ('Floquet-Lyapunov')…
We present four quantum algorithms for solving a multidimensional drift-diffusion equation. They rely on a quantum linear system solver, a quantum Hamiltonian simulation, a quantum random walk, and the quantum Fourier transform. We compare…