Supersymmetries in nonequilibrium Langevin dynamics

Stochastic phenomena are often described by Langevin equations, which serve as a mesoscopic model for microscopic dynamics. It has been known since the work of Parisi and Sourlas that reversible (or equilibrium) dynamics present supersymmetries (SUSYs). These are revealed when the path-integral action is written as a function not only of the physical fields, but also of Grassmann fields representing a Jacobian arising from the noise distribution. SUSYs leave the action invariant upon a transformation of the fields that mixes the physical and the Grassmann ones. We show that contrary to common belief, it is possible to extend the known reversible construction to the case of arbitrary irreversible dynamics, for overdamped Langevin equations with additive white noise—provided their steady state is known. The construction is based on the fact that the Grassmann representation of the functional determinant is not unique, and can be chosen so as to present a generalization of the Parisi-Sourlas SUSY. We show how such SUSYs are related to time-reversal symmetries and allow one to derive modified fluctuation-dissipation relations valid in nonequilibrium. We give as a concrete example the results for the Kardar-Parisi-Zhang equation.

Hyperaccurate currents in stochastic thermodynamics

Daniel Maria Busiello

Thermodynamic observables of mesoscopic systems can be expressed as integrated empirical currents. Their fluctuations are bound by thermodynamic uncertainty relations. We introduce the hyperaccurate current as the integrated empirical current with the least fluctuations in a given nonequilibrium system. For steady-state systems described by overdamped Langevin equations, we derive an equation for the hyperaccurate current by means of a variational principle. We show that the hyperaccurate current coincides with the entropy production if and only if the latter saturates the thermodynamic uncertainty relation, and it can be substantially more precise otherwise. The hyperaccurate current can be used to improve estimates of entropy production from experimental data.

AMER PHYSICAL SOC2019

On The Stochastic Modeling Of Rigid Body Systems With Application To Polymer Dynamics

John Maddocks

The stochastic equations of motion for a system of interacting rigid bodies in a solvent are formulated and studied. Three-dimensional bodies of arbitrary shape, with arbitrary couplings between translational and rotational degrees of freedom, as arise in coarse-grained models of polymers, are considered. Beginning from an Euler-Langevin form of the equations, two different, properly invariant, Hamilton-Langevin forms are derived and studied together with various associated measures. Under different conditions depending on the choice of rotational coordinates, the canonical measure is shown to be a stationary solution of an associated Fokker-Planck equation and to always factorize into independent measures on configuration and velocity spaces. Explicit expressions are given for these measures, along with a certain Jacobian factor associated with the three-dimensional rotation group. When specialized to a fully coupled, quadratic model of a stiff polymer such as DNA, our results yield an explicit characterization of the complete set of model parameters.

2010

Quantum Monte Carlo approach to the non-equilibrium steady state of open quantum systems

Alexandra Nagy

Many-body open quantum systems are exposed to an essentially uncontrollable environment that acts as a source of decoherence and dissipation. As the exact treatment of such models is generally unfeasible, it is favourable to formulate an approximate description by means of the dynamics of the reduced density operator of the system. When studying models with a weak coupling to a memoryless environment, the existence of such solution is granted and the reduced dynamics is governed by the Lindblad quantum master equation. In recent years, open quantum systems have evolved into a major field of studies. Focus of these studies are the characterization of emergent phenomena and dissipative phase transitions, as well as the ongoing debate about whether quantum computing schemes are still hard to simulate classically --- and thus achieve quantum supremacy --- when in presence of some degree of noise-induced decoherence. However, the challenge posed by this task lies in the complexity of the density matrix that increases exponentially with the system size, and the quest for efficient numerical methods is a research field that is still in its infancy. Here, we first develop a real-time full configuration interaction quantum Monte Carlo technique that stems from a class of methods generally known as projector Monte Carlo. The approach enables the stochastic sampling of the Lindblad time evolution of the density matrix thanks to a massively parallel algorithm, thus providing estimates of observables on the non-equilibrium steady state. We present the underlying theory and introduce an initiator technique and importance sampling to reduce statistical error. We demonstrate the efficiency of the approach by applying it to the dissipative two-dimensional XYZ spin-1/2 model on a lattice. As the importance sampling of projector approaches is often combined with variational results, we then introduce a novel method that is based on the variational Monte Carlo methods and on a neural network representation of the density matrix. Thanks to the stochastic reconfiguration scheme, the application of the variational principle is translated into the actual integration of the Lindblad quantum master equation. We test the effectiveness of the method by modeling the steady state of the dissipative two-dimensional XYZ spin-1/2 model through a dissipative phase transition, and also the real-time dynamics of the dissipative Ising model. In addition, we discuss the application of the developed methods and the open questions of the field.

EPFL2020

Quantum Monte Carlo approach to the non-equilibrium steady state of open quantum systems

Alexandra Nagy

EPFL2020