相关论文: Optimal flexibility for conformational transitions…

We discuss some generic features of the dynamics of glass-forming liquids close to the glass transition singularity of the idealized mode-coupling theory (MCT). The analysis is based on a recent model by one of the authors for the…

Structural transition induced by a local conformational change in biomolecules is formulated based on the generalized Langevin theory for the structural fluctuation of a molecule in solution, and the linear response theory, derived by Kim…

The importance of mutator clones in the adaptive evolution of asexual populations is not fully understood. Here we address this problem by using an ab initio microscopic model of living cells, whose fitness is derived directly from their…

We suggest that highly conducting oriented polymers with a fibril structure can be modeled by a regular lattice of disordered metallic wires with a random first-neighbor interwire coupling which mimics the cross-links between fibrils. We…

The paper studies an improved estimate for the rate of convergence for nonlinear homogeneous discrete-time Markov chains. These processes are nonlinear in terms of the distribution law. Hence, the transition kernels are dependent on the…

In this paper we propose a generalized model for the motion of a two-species self-driven objects ranging from a scenario of a completely random environment of particles of negligible excluded volume to a more deterministic regime of rigid…

Data movement is the dominating factor affecting performance and energy in modern computing systems. Consequently, many algorithms have been developed to minimize the number of I/O operations for common computing patterns. Matrix…

Transport through molecular contacts with a sluggish intramolecular vibrational mode strongly coupled to excess charges is studied far from equilibrium. A Born-Oppenheimer approximation in steady state reveals voltage dependent energy…

We develop a transferable machine learning model which predicts structural relaxation from amorphous supercooled liquid structures. The trained networks are able to predict dynamic heterogeneity across a broad range of temperatures and time…

We show that atoms or molecules subject to fields that couple their internal and translational (momentum) states may undergo a crossover from randomization (diffusion) to strong localization (sharpening) of their momentum distribution. The…

Robotic arms built from stiffness-adjustable, continuously bending segments serially connected with revolute joints have the ability to change their mechanical architecture and workspace, thus allowing high flexibility and adaptation to…

Configurational fluctuations of conducting polymers in solution can bring into proximity monomers which are distant from each other along the backbone. Electrons can hop between these monomers across the "bridges" so formed. We show how…

Large language models display in-context learning as an emergent effect of scale, but they rely on static weights during inference. In contrast, biological systems continually adapt via synaptic plasticity. We investigate whether explicit,…

Adaptation plays a pivotal role in the evolution of natural and artificial complex systems, and in the determination of their functionality. Here, we investigate the impact of adaptive inter-layer processes on intra-layer synchronization in…

We show that molecular dynamics based moves in the Minima Hopping (MH) method are more efficient than saddle point crossing moves which select the lowest possible saddle point. For binary systems we incorporate identity exchange moves in a…

Proteins are the "work horses" in biological systems. In almost all functions specific proteins are involved. They control molecular transport processes, stabilize the cell structure, enzymatically catalyze chemical reactions; others act as…

Chain-like macromolecules in solution, whether biological or synthetic, transform from a spatially extended conformation to a compact one upon change of temperature or solvent qualities. This sharp transition plays a key role in various…

The motility of eukaryotic cells is strongly influenced by their environment, with confined cells often developing qualitatively different motility patterns from those migrating on simple two-dimensional substrates. Recent experiments,…

Mechanical metamaterials -- structures with unusual properties that emerge from their internal architecture -- that are designed to undergo large deformations typically exploit large internal rotations, and therefore, necessitate the…

The glass transition is a long-standing unsolved problem in materials science. For polymers, our understanding of glass-formation is particularly poor due to the added complexity of chain connectivity and flexibility; structural relaxation…