Related papers: Universal Free Energy Landscape Produces Efficient…
According to the mean-field glass theory, the (free) energy landscape of disordered systems is hierarchical and ultrametric if they belong to the full-replica-symmetry-breaking universality class. However, examining this theoretical picture…
It is analyzed whether the potential energy landscape of a glass-forming system can be effectively mapped on a random model which is described in statistical terms. For this purpose we generalize the simple trap model of Bouchaud and…
Under temperature oscillation, cyclic molecular machines such as catalysts and enzymes could harness energy from the oscillatory bath and use it to drive other processes. Using a novel geometrical approach, under fast temperature…
Ultrafast multistage electron transfer (ET) in molecular systems with multiple redox centers is fundamental to photochemical energy conversion, including processes in natural photosynthesis, molecular optoelectronics, and organic…
We show that the combined system of general relativity with a non minimally coupled electromagnetic field presents a bifurcation in a cosmical framework driven by a cosmological constant. In the same framework we show the existence of…
Free-electron radiation offers an enticing route to create light emission at arbitrary spectral regime. However, this type of light emission is generally weak, which is intrinsically limited by the weak particle-matter interaction and…
We introduce a novel heuristic global optimization method, energy landscape paving (ELP), which combines core ideas from energy surface deformation and tabu search. In appropriate limits, ELP reduces to existing techniques. The approach is…
The complexity and unpredictability of postbuckling responses in even simple thin shells have raised great challenges to emerging technologies exploiting buckling transitions. Here we comprehensively survey the buckling landscapes to show…
We apply energy landscape methods to digital alchemy, defining a system in which the parameters of the potential are treated as degrees of freedom. Using geometrical optimisation, we locate minima and transition states on the landscape for…
In this paper, we present a study on how to develop an efficient multiscale simulation strategy for the dynamics of chemically active systems on low-dimensional supports. Such reactions are encountered in a wide variety of situations,…
Retrosynthesis -- the process of identifying a set of reactants to synthesize a target molecule -- is of vital importance to material design and drug discovery. Existing machine learning approaches based on language models and graph neural…
In the free energy landscape picture of glassy systems, the slow dynamics characteristic of these systems is believed to be due to the existence of a complicated free-energy landscape with many local minima. We show here that for a…
Effective Field Theory (EFT) provides a powerful framework that exploits a separation of scales in physical systems to perform systematically improvable, model-independent calculations. Particularly interesting are few-body systems with…
A boundary equilibrium bifurcation (BEB) in a hybrid dynamical system occurs when a regular equilibrium collides with a switching surface in phase space. This causes a transition to a pseudo-equilibrium embedded within the switching…
Electron hydrodynamics gives rise to surprising correlated behaviors in which electrons "cooperate" to quench dissipation and reduce the electric fields needed to sustain the flow. Such collective "free" flows are usually expected at the…
Microstructure characterisation has been greatly enhanced through the use of electron backscatter diffraction (EBSD), where rich maps are generated through analysis of the crystal phase and orientation in the scanning electron microscope…
Bifurcations of classical orbits introduce divergences into semiclassical spectra which have to be smoothed with the help of uniform approximations. We develop a technique to extract individual energy levels from semiclassical spectra…
Redox flow batteries (RFBs) have gained popularity as large-scale energy storage systems for wind and solar powered grids. Modern RFB systems are based on highly corrosive and/or flammable electrolytes. Organic redox active species for RFBs…
The energy landscapes of proteins have evolved to be different from most random heteropolymers. Many studies have concluded that evolutionary selection for rapid and reliable folding to a given structure that is stable at biological…
The paper presents amended basic map of states of chemical systems in discrete thermodynamics of chemical equilibria. Uniting two previously found basic map types in one and covering a wider range of situations, it allows us to obtain more…