Related papers: Sampling efficiency of transverse forces in dense …
The evolution of the gluon plasma produced with saturation initial conditions is calculated via Boltzmann transport theory for nuclear collisions at high energy. The saturation scale increases with the nuclear size and the beam energy, and…
Near equilibrium, thermodynamic intuition suggests that fast, irreversible processes will dissipate more energy and entropy than slow, quasistatic processes connecting the same initial and final states. Here, we test the hypothesis that…
This paper is concerned with tuning friction and temperature in Langevin dynamics for fast sampling from the canonical ensemble. We show that near-optimal acceleration is achieved by choosing friction so that the local quadratic…
Evidence suggests that the transport rate of a passive particle at long timescales is enhanced due to interactions with the surrounding active ones in a size- and composition-dependent manner. Using a system of particles with different…
The Euler and Navier-Stokes fluid mechanics equations are derived using a modified statistical mechanical approach using theory taken from the Chapman-Enskog perturbation analysis used to support the lattice Boltzmann method. Additional…
Our method proposes the efficient generation of samples from an unnormalized Boltzmann density by solving the underlying continuity equation in the low-rank tensor train (TT) format. It is based on the annealing path commonly used in MCMC…
Sampling molecular conformations from the Boltzmann distribution is essential for computational chemistry, but iterative diffusion methods are prohibitively slow. Drifting Models offer one-step generation, yet their equilibrium matches the…
Thermophoresis is the process of particles moving along a temperature gradient in thermodynamic systems. Even though it has been studied for over 150 years, there is neither a complete theoretical description of thermophoresis in liquids…
Systems driven out of equilibrium can often exhibit behaviour not seen in systems in thermal equilibrium- for example phase transitions in one-dimensional systems. In this talk I will review several `condensation' transitions that occur…
Equilibrium properties in statistical physics are obtained by computing averages with respect to Boltzmann-Gibbs measures, sampled in practice using ergodic dynamics such as the Langevin dynamics. Some quantities however cannot be computed…
The force on a probe induced by a nonequilibrium medium is in general nongradient. We detail the mechanism of that feature via nonequilibrium response theory. The emergence of nongradient forces is due to a systematic "twist" of the excess…
The non-equilibrium high-speed compressible flows present wealthy applications in engineering and science. With the deepening of Thermodynamic Non-Equilibrium (TNE), higher-order non-conserved kinetic moments of the distribution function…
Owing to the Chapman-Kolmogorov equation for Markovian dynamics,any equilibrium trajectory of a Brownian particle in a solvent fluid can be viewed as the superposition of an uncountable number of non-equilibrium states. This property…
Large deviation functions contain information on the stability and response of systems driven into nonequilibrium steady states, and in such a way are similar to free energies for systems at equilibrium. As with equilibrium free energies,…
Sampling the collective, dynamical fluctuations that lead to nonequilibrium pattern formation requires probing rare regions of trajectory space. Recent approaches to this problem based on importance sampling, cloning, and spectral…
Dense assemblies of self-propelled particles undergo a nonequilibrium form of glassy dynamics. Physical intuition suggests that increasing departure from equilibrium due to active forces fluidifies a glassy system. We falsify this belief by…
Computer simulations are used to test whether a recently introduced generalization of Rosenfeld's excess-entropy scaling method for estimating transport coefficients in systems obeying molecular dynamics can be extended to predict long-time…
We develop a new approach to velocity averaging lemmas based on the dispersive properties of the kinetic transport operator. This method yields unprecedented sharp results, which display, in some cases, a gain of one full derivative.…
A calculation of the transverse sound velocity as a function of excess entropy is presented for several simple fluids, including the Lennard-Jones, Yukawa, one-component plasma, inverse-power law (soft sphere) and hard sphere models. A…
Exploring the free-energy landscape along reaction coordinates or system parameters $\lambda$ is central to many studies of high-dimensional model systems in physics, e.g. large molecules or spin glasses. In simulations this usually…