Related papers: Improving Wang-Landau sampling with adaptive windo…
In the present paper, we apply the framework of volume-filtering for particle-laden flows, to large eddy simulations (LES) of wall-bounded flows leading to a new perspective on wall-modeled LES (WMLES) that we refer to as volume-filtered…
Linear polymers adsorbing on a wall can be modelled by half-space self-avoiding walks adsorbing on a line in the square lattice, or on a surface in the cubic lattice. In this paper a numerical approach based on the GAS algorithm is used to…
he contact angle of a liquid droplet on a surface under partial wetting conditions differs for a nanoscopically rough or periodically corrugated surface from its value for a perfectly flat surface. Wenzel's relation attributes this…
Antenna simulation typically involves modeling and optimization, which are time-consuming and labor-intensive, slowing down antenna analysis and design. This paper presents a prototype of a large language model (LLM)-based antenna design…
We discuss the recent application to strongly disordered systems of the Critical Minimum Energy Subspace (CMES) method, used to limit the energy subspace of the Wang-Landau sampling. We compare with our results on the 3D Random Field Ising…
It is shown that the algorithm introduced in [1] and conceived to deal with continuous degrees of freedom models is well suited to compute the density of states in models with a discrete energy spectrum too. The q=10 D=2 Potts model is…
Using variational density matrix optimization with two- and three-index conditions we study the one-dimensional Hubbard model with periodic boundary conditions at various filling factors. Special attention is directed to the full…
Computer simulations of first-order phase transitions using standard toroidal boundary conditions are generally hampered by exponential slowing down. This is partly due to interface formation, and partly due to shape transitions. The latter…
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…
Observations of the large-scale structure (LSS) implicitly assume an ideal FLRW observer with the ambient structure having no influence on the observer. However, due to correlations in the LSS, cosmological observables are dependent on the…
Lattice molecule models are proposed in order to study statistical mechanics of glass transition in finite dimensions. Molecules in the models are represented by hard Wang tiles and their density is controlled by a chemical potential. An…
Energy landscapes are high-dimensional surfaces representing the dependence of system energy on variable configurations, which determine crucially the system's emergent behavior but are difficult to be analyzed due to their high-dimensional…
We extend a recently proposed ternary free energy lattice Boltzmann model with high density contrast, by incorporating wetting boundaries at solid walls. The approaches are based on forcing and geometric schemes, with implementations…
Monte Carlo simulations using entropic sampling to estimate the number of configurations of a given energy are a valuable alternative to traditional methods. We introduce {\it tomographic} entropic sampling, a scheme which uses multiple…
The use of external restraints is ubiquitous in advanced molecular simulation techniques. In general, restraints serve to reduce the configurational space that is available for sampling, thereby reducing the computational demands associated…
Large Language Models (LLMs) demonstrate promising capabilities in solving scientific problems but often suffer from the issue of hallucination. While integrating LLMs with tools can mitigate this issue, models fine-tuned on tool usage…
We determine the optimal scaling of local-update flat-histogram methods with system size by using a perfect flat-histogram scheme based on the exact density of states of 2D Ising models.The typical tunneling time needed to sample the entire…
The Ingot WFS, a Pyramid-like WFS, has been proposed as a relief to the LGS spot elongation. Actually, the artificial sources are confined in an excited cigar-shaped region in the sodium layer and portions of the telescope aperture have a…
Agentic reinforcement learning increasingly relies on experience-driven scaling, yet real-world environments remain non-adaptive, limited in coverage, and difficult to scale. World models offer a potential way to improve learning efficiency…
We present a physics-based fluid control method utilizing localized spacetime windows, extending force-based spacetime control to simulation scales that were previously intractable. Building on the observation that optimal control force…