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Molecular dynamics simulations provide theoretical insight into the microscopic behavior of materials in condensed phase and, as a predictive tool, enable computational design of new compounds. However, because of the large temporal and…
Fluctuations in small biological systems can be crucial for their function. Large-deviation theory characterizes such rare events from the perspective of stochastic processes. In most cases it is very difficult to directly determine the…
An algorithm for simulation of quantum many-body dynamics having su(2) spectrum-generating algebra is developed. The algorithm is based on the idea of dynamical coarse-graining. The original unitary dynamics of the target observables, the…
We analytically demonstrate that strong system-bath coupling separates the relaxation dynamics of a dissipative quantum system into two distinct regimes: a short-time dynamics that, as expected, accelerates with increasing coupling to the…
Dynamical decoupling can be used to preserve arbitrary quantum states despite undesired interactions with the environment, using control Hamiltonians affecting the system only. We present a system-independent analysis of dynamical…
A novel scheme to simulate the evolution of a restricted set of observables of a quantum system is proposed. The set comprises the spectrum-generating algebra of the Hamiltonian. The idea is to consider a certain open-system evolution,…
Recent developments in multiscale computation allow the solution of ``coarse equations'' for the expected macroscopic behavior of microscopically/stochastically evolving particle distributions without ever obtaining these coarse equations…
We develop a hierarchical functional derivative method to investigate the reduced dynamics of a quantum dissipative system within the framework of a stochastic decoupling description. Keeping only the lowest order truncation of the…
The coherence time of an electron spin decohered by the nuclear spin environment in a quantum dot can be substantially increased by subjecting the electron to suitable dynamical decoupling sequences. We analyze the performance of high-level…
We discuss the stochastic thermodynamics of systems that are described by a time-dependent density field, for example simple liquids and colloidal suspensions. For a time-dependent change of external parameters, we show that the Jarzynski…
Starting from the stochastic thermodynamics description of two coupled underdamped Brownian particles, we showcase and compare three different coarse-graining schemes leading to an effective thermodynamic description for the first of the…
With the guidance offered by nonequilibrium statistical thermodynamics, simulation techniques are elevated from brute-force computer experiments to systematic tools for extracting complete, redundancy-free and consistent coarse grained…
Using the concept of dynamical mappings, two symmetry conserving nonperturbative approaches are presented. The first is based on the 1/N-expansion and sorted out using Holstein-Primakoff mapping. The second consists of dynamically mapping…
We propose a sampling algorithm relying on a collective variable (CV) of mid-size dimension modelled by a normalizing flow and using non-equilibrium dynamics to propose full configurational moves from the proposition of a refreshed value of…
We develop a linear systems theory that coincides with the existing theories for continuous and discrete dynamical systems, but that also extends to linear systems defined on nonuniform time domains. The approach here is based on…
Modeling a high-dimensional Hamiltonian system in reduced dimensions with respect to coarse-grained (CG) variables can greatly reduce computational cost and enable efficient bottom-up prediction of main features of the system for many…
Externally driven dense packings of particles can exhibit nonlinear wave phenomena that are not described by effective medium theory or linearized approximate models. Such nontrivial wave responses can be exploited to design…
We study dynamics of a two-level system coupled simultaneously to a pair of dissimilar reservoirs, namely, a spin bath and a boson bath, which are connected via finite interbath coupling. It is found that the steady-state energy transfer in…
Dissipative processes can drive different magnetic orders in quantum spin chains. Using a non-perturbative analytic mapping framework, we systematically show how to structure different magnetic orders in spin systems by controlling the…
We study jamming in granular mixtures from the novel point of view of extended hydrodynamics. Using a hard sphere binary mixture model we predict that a few large grains are expected to get caged more effectively in a matrix of small grains…