Related papers: Thermodynamic Consistency as a Reliability Test fo…
While latent diffusion models (LDMs) have emerged as powerful priors for inverse problems, existing LDM-based solvers frequently suffer from instability. In this work, we first identify the instability as a discrepancy between the solver…
The free-energy lattice Boltzmann (LB) model is one of the major multiphase models in the LB community. The present study is focused on a class of free-energy LB models in which the divergence of thermodynamic pressure tensor or its…
We present a novel algorithm that allows one to obtain temperature dependent properties of quantum lattice models in the thermodynamic limit from exact diagonalization of small clusters. Our Numerical Linked Cluster (NLC) approach provides…
We reformulate the algorithm of Gr{\o}nbech-Jensen and Farago (GJF) for Langevin dynamics simulations at constant temperature. The GJF algorithm has become increasingly popular in molecular dynamics simulations because it provides robust…
As is well known the Complex Langevin (CL) method sometimes fails to converge or converges to the wrong limit. We identified one reason for this long ago: insufficient decay of the probability density either near infinity or near poles of…
Monte Carlo simulation of gauge theories with a $\theta$ term is known to be extremely difficult due to the sign problem. Recently there has been major progress in solving this problem based on the idea of complexifying dynamical variables.…
In this work, we propose a theory of temperature estimation of quantum systems, which is applicable in the regime of non-negligible prior temperature uncertainty and limited measurement data. In this regime the problem of establishing a…
Complex Langevin methods have been successfully applied in theories that suffer from a sign problem such as QCD with a chemical potential. We present and illustrate a novel method (dynamic stabilisation) that ensures that Complex Langevin…
We develop a Lindblad framework for quantum stochastic thermodynamics to study the nonequilibrium thermodynamics of open quantum systems. Our approach adopts the local quantum detailed balance condition, ensuring thermodynamic consistency…
We discuss recently introduced numerical linked-cluster (NLC) algorithms that allow one to obtain temperature-dependent properties of quantum lattice models, in the thermodynamic limit, from exact diagonalization of finite clusters. We…
We propose a new method for computing the temperature dependence of the heat capacity in complex molecular systems. The proposed scheme is based on the use of the Langevin equation with low frequency color noise. We obtain the temperature…
We study full QCD at finite density and low temperature with light quark mass using the complex Langevin method. Since the singular drift problem turns out to be mild on a $4^3 \times 8$ lattice we use, the gauge cooling is performed only…
The properties of molecules and materials containing light nuclei are affected by their quantum mechanical nature. Modelling these quantum nuclear effects accurately requires computationally demanding path integral techniques. Considerable…
We discuss recent developments regarding the use of kernels in complex Langevin simulations. In particular, we outline how a kernel can be used to solve the problem of wrong convergence in a simple toy model. Since conventional correctness…
Accurately evaluating finite-temperature properties of quantum many-body systems remains a central challenge. Many existing quantum approaches typically require thermal-state preparation at each target temperature, making low-temperature…
We present a new method for isothermal rigid body simulations using the quaternion representation and Langevin dynamics. It can be combined with the traditional Langevin or gradient (Brownian) dynamics for the translational degrees of…
We introduce a novel simple algorithm for thermostatting path integral molecular dynamics (PIMD) with the Langevin equation. The staging transformation of path integral beads is employed for demonstration. The optimum friction coefficients…
Trace estimators allow to approximate thermodynamic equilibrium observables with astonishing accuracy. A prominent representative is the finite-temperature Lanczos method (FTLM) which relies on a Krylov space expansion of the exponential…
The complex Langevin method is extended to full QCD at non-zero chemical potential. The use of gauge cooling stabilizes the simulations at small enough lattice spacings. At large fermion mass the results are compared to the HQCD approach,…
We present a modified finite temperature Lanczos method for the evaluation of dynamical and static quantities of strongly correlated electron systems that complements the finite temperature method (FTLM) introduced by Jaklic and Prelovsek…