Related papers: Inverse Thermodynamics: Designing Interactions for…

Here we present a fundamental comprehension of the microscopic mechanisms leading to the emergence of inverse melting transitions by considering a thorough mean-field analysis of a variety of minimal models with different competing…

Inverse design techniques in the context of nanophotonics have helped in discovery of compact and counter-intuitive structures/shapes. We introduce the concept of spectral domain inverse design to search through the optical trade-space…

Atomic transitions with orthogonal dipole moments can be made to interfere with each other by the use of an anisotropic environment. Here we describe, provide and apply a computational toolbox capable of algorithmically designing…

We introduce the idea of weakly coherent collisional models, where the elements of an environment interacting with a system of interest are prepared in states that are approximately thermal, but have an amount of coherence proportional to a…

Realizing general inverse design could greatly accelerate the discovery of new materials with user-defined properties. However, state-of-the-art generative models tend to be limited to a specific composition or crystal structure. Herein, we…

In this paper we solve the inverse problem for the cubic mean-field Ising model. Starting from configuration data generated according to the distribution of the model we reconstruct the free parameters of the system. We test the robustness…

We consider a one-dimensional run-and-tumble particle (RTP) confined by an external potential and coupled to a thermal reservoir. Starting from the corresponding Fokker-Planck equation, we derive an explicit expression for the local entropy…

We use computer simulations to investigate self-assembly in a system of model chaperonin proteins, and in an Ising lattice gas. We discuss the mechanisms responsible for rapid and efficient assembly in these systems, and we use measurements…

Computing equilibrium concentrations of molecular complexes is generally analytically intractable and requires numerical approaches. In this work we focus on the polymer-monomer level, where indivisible molecules (monomers) combine to form…

Phase separation of multicomponent liquid mixtures plays an integral part in many processes ranging from industry to cellular biology. In many cases the morphology of coexisting phases is crucially linked to the function of the separated…

Self-assembly is one of the prevalent strategies used by living systems to fabricate ensembles of precision nanometer-scale structures and devices. The push for analogous approaches to create synthetic nanomaterials has led to the…

The accelerated inverse design of complex material properties - such as identifying a material with a given stress-strain response over a nonlinear deformation path - holds great potential for addressing challenges from soft robotics to…

We propose a method to study the thermodynamic behaviour of small systems beyond the weak coupling and Markovian approximation, which is different in spirit from conventional approaches. The idea is to redefine the system and environment…

Thermoelectric materials can be used to construct devices which recycle waste heat into electricity. However, the best known thermoelectrics are based on rare, expensive or even toxic elements, which limits their widespread adoption. To…

Accurate phase diagram calculation from molecular dynamics requires systematic treatment and convergence of statistical averages. In this work we propose a Gaussian process regression based framework for reconstructing the free energy…

Recent experiments with degenerate molecular gases dressed by elliptically polarized microwave fields have enabled new control of dipolar interactions via engineered anisotropy. We reveal a symmetry structure of the dipolar interaction that…

Advances in experimental techniques enable the precise manipulation of a large variety of active systems, which constantly dissipate energy to sustain nonequilibrium phenomena without any equilibrium equivalent. To design novel materials…

Interference-fit joints are typically adopted to produce permanent assemblies among mechanical parts. The resulting contact pressure is generally used for element fixing or to allow load transmission. Nevertheless, some special designs take…

Nonlinear metasurfaces offer a new paradigm to realize optical nonlinear devices with new and unparalleled behavior compared to nonlinear crystals, due to the interplay between photonic resonances and materials properties. The complicated…

The hallmark feature of polymorphic systems is their ability to assemble into many possible structures at the same thermodynamic state. Designer polymorphic materials can in principle be engineered via programmable self-assembly, but the…