相关论文: Predicting reaction coordinates in energy landscap…

We calculate the configurational entropy S_conf for the SPC/E model of water for state points covering a large region of the (T,rho) plane. We find that (i) the (T,rho) dependence of S_conf correlates with the diffusion constant and (ii)…

Robotic systems must be able to quickly and robustly make decisions when operating in uncertain and dynamic environments. While Reinforcement Learning (RL) can be used to compute optimal policies with little prior knowledge about the…

We develop a framework for analyzing the training and learning rate dynamics on a variety of high- dimensional optimization problems trained using one-pass stochastic gradient descent (SGD) with data generated from multiple anisotropic…

Goal-conditioned dynamic manipulation is inherently challenging due to complex system dynamics and stringent task constraints, particularly in deformable object scenarios characterized by high degrees of freedom and underactuation. Prior…

In this paper, the applicability of the entropy method for the trend towards equilibrium for reaction-diffusion systems arising from first order chemical reaction networks is studied. In particular, we present a suitable entropy structure…

We derive a model for the non-isothermal reaction-diffusion equation. Combining ideas from non-equilibrium thermodynamics with the energetic variational approach we obtain a general system modeling the evolution of a non-isothermal chemical…

We derive the equations of motion for a system undergoing boost-invariant longitudinal and azimuthally-symmetric transverse "Gubser flow" using leading-order anisotropic hydrodynamics. This is accomplished by assuming that the one-particle…

For simulation studies of (macro) molecular liquids it would be of significant interest to be able to adjust or increase the level of resolution within one region of space, while allowing for the free exchange of molecules between open…

Understanding anomalous transport and reaction kinetics due to microscopic physical and chemical disorder is a long-standing goal in many fields including geophysics, biology, and engineering. We consider reaction-diffusion characterized by…

We propose an open-boundary molecular dynamics method in which an atomistic system is in contact with an infinite particle reservoir at constant temperature, volume and chemical potential. In practice, following the Hamiltonian adaptive…

This study is due to various applications in physics, chemistry and especially in biology, where both bounded configuration domain and chemical anisotropy could play a great part. In fact we generalize the well-known Berg theory, which…

We calculated a four-point correlation function G_4(k,r;t) and the corresponding structure factor S_4(k,q;t) for a model glass-forming binary mixture. These functions measure the spatial correlations of the relaxation of different…

Time-resolved scattering experiments enable imaging of materials at the molecular scale with femtosecond time resolution. However, in disordered media they provide access to just one radial dimension thus limiting the study of orientational…

The onset of life is often framed around membrane bound compartments and encoded metabolism, leaving unresolved how spatial organization arose before stable boundaries. In this context, environmental gradients are usually treated as…

Entropy scaling is a powerful technique that has been used for predicting transport properties of pure components over a wide range of states. However, modeling mixture diffusion coefficients by entropy scaling is an unresolved task. We…

In this letter, we propose a reduced-order model to bridge the particle transport mechanics and the macroscopic fluid dynamics in the highly scattered regime. A rigorous mathematical derivation and a concise physical interpretation are…

Local interactions drive emergent collective behavior, which pervades biological and social complex systems. But uncovering the interactions that produce a desired behavior remains a core challenge. In this paper, we present EvoSOPS, an…

Reaction-diffusion systems driven far from thermodynamic equilibrium through the injection of energy can support multiple distinct spatial patterns that persist as long-lived dynamical phases. The stability of these metastable phases is not…

Deep learning methods have achieved excellent performance in pose estimation, but the lack of robustness causes the keypoints to change drastically between similar images. In view of this problem, a stable heatmap regression method is…

We develop the theoretical basis for the connection of the variety of anisotropic distributions with the statistical correlations among particles velocity components. By examining the most common anisotropic distribution, we derive the…