相关论文: Computational strategies for mapping equilibrium p…
We have developed a new simulation algorithm for free-energy calculations. The method is a multidimensional extension of the replica-exchange method. While pairs of replicas with different temperatures are exchanged during the simulation in…
Necessary optimality conditions and numerical methods for solving an optimal control problem for a linear continuous-time dynanical system with controlled coefficients and quadratic goal functional are discussed.
The traditional framework of quantum metrology commonly assumes unlimited access to resources, overlooking resource constraints in realistic scenarios. As such, the optimal strategies therein can be infeasible in practice. Here, we…
We develop estimation and inference methods for a stylized macroeconomic model with potentially multiple behavioural equilibria, where agents form expectations using a constant-gain learning rule. We first show geometric ergodicity of the…
This review concentrates on the two principle methods used to evolve nuclear abundances within astrophysical simulations, evolution via rate equations and via equilibria. Because in general the rate equations in nucleosynthetic applications…
We present a numerical scheme for immiscible two-phase flows with one compressible and one incompressible phase. Special emphasis lies in the discussion of the coupling strategy for compressible and incompressible Euler equations to…
We introduce an architecture for neural quantum states for many-body quantum-mechanical systems, based on normalizing flows. The use of normalizing flows enables efficient uncorrelated sampling of configurations from the probability…
A large number of application problems involve two levels of optimization, where one optimization task is nested inside the other. These problems are known as bilevel optimization problems and have been studied by both classical…
Disordered and frustrated graphical systems are ubiquitous in physics, biology, and information science. For models on complete graphs or random graphs, deep understanding has been achieved through the mean-field replica and cavity methods.…
Equilibrium statistical mechanics tools have been developed to obtain indications about the natural tendencies of nonlinear energy transfers in two-dimensional and quasi two-dimensional flows like rotating and stratified flows in…
Methods for the reduction of the complexity of computational problems are presented, as well as their connections to renormalization, scaling, and irreversible statistical mechanics. Several statistically stationary cases are analyzed; for…
We present several new characterizations of correlated equilibria in games with continuous utility functions. These have the advantage of being more computationally and analytically tractable than the standard definition in terms of…
The characterization of collective behavior and nonequilibrium phase transitions in quantum systems is typically rooted in the analysis of suitable system observables, so-called order parameters. These observables might not be known a…
To provide a phenomenological theory for the various interesting transitions in restructuring networks we employ a statistical mechanical approach with detailed balance satisfied for the transitions between topological states. This enables…
We present a new method to compute free energies at a quantum mechanical (QM) level of theory from molecular simulations using cheap reference potential energy functions, such as force fields. To overcome the poor overlap between the…
Mapping out phase diagrams of quantum systems using classical simulations can be challenging or intractable due to the computational resources required to simulate even small quantum systems far away from the thermodynamic limit. We…
Complete Feynman diagram automatic computation systems are now coming of age after many years of development. They are made available to the high energy physics community through user-friendly interfaces. Theorists and experimentalists can…
We investigate the interface dynamic in Laplacian growth model, using the conformal mapping technique. Starting from the governing equation for the conformal map, obtained by B.Shraiman and D.Bensimon, we derive different possible forms of…
Number partitioning is an NP-complete problem of combinatorial optimization. A statistical mechanics analysis reveals the existence of a phase transition that separates the easy from the hard to solve instances and that reflects the…
We present simulations of the relaxation towards equilibrium of one dimensional steps and sinusoidal grooves imprinted on a surface below its roughening transition. We use a generalization of the hypercube stacking model of Forrest and…