Related papers: Algorithmic design of self-assembling structures
Using supersymmetric quantum mechanics we construct the quasi-exactly solvable (QES) potentials with arbitrary two known eigenstates. The QES potential and the wave functions of the two energy levels are expressed by some generating…
While colloids are promising building blocks for the self-assembly of materials with novel microstructures, their numerous tunable parameters inhibit brute force searching for appropriate parameter combinations that yield self-assembly of a…
We establish that nonconvex definable parametric optimization problems with possibly nonsmooth objectives, inequality constraints, conic constraint systems, and non-unique primal and dual solutions admit an adjoint state formula under a…
Preparing the ground state of a given Hamiltonian and estimating its ground energy are important but computationally hard tasks. However, given some additional information, these problems can be solved efficiently on a quantum computer. We…
Self-concordance is the most important property required for barriers in convex programming. It is intrinsically linked to the affine structure of the underlying space. Here we introduce an alternative notion of self-concordance which is…
We propose an optimisation method for the inverse structural design of self-assembly of anisotropic patchy particles. The anisotropic interaction can be expressed by the spherical harmonics of the surface pattern on a patchy particle, and…
The richness of quantum theory's reversible dynamics is one of its unique operational characteristics, with recent results suggesting deep links between the theory's reversible dynamics, its local state space and the degree of non-locality…
When preparing a pure state with a quantum circuit, there is an unavoidable approximation error due to the compilation error in fault-tolerant implementation. A recently proposed approach called probabilistic state synthesis, where the…
We propose a quantum inverse iteration algorithm which can be used to estimate the ground state properties of a programmable quantum device. The method relies on the inverse power iteration technique, where the sequential application of the…
A new iterative solver is proposed to efficiently calculate the ground state electronic structure in Density Functional Theory calculations. This algorithm is particularly useful for simulating physical systems considered difficult to…
Using a new Bayesian method for solving inverse quantum problems, potentials of quantum systems are reconstructed from coordinate measurements in non-stationary states. The approach is based on two basic inputs: 1. a likelihood model,…
Isotropic pairwise interactions that promote the self assembly of complex particle morphologies have been discovered by inverse design strategies derived from the molecular coarse-graining literature. While such approaches provide an avenue…
Conventional wisdom presumes that low-coordinated crystal ground states require directional interactions. Using our recently introduced optimization procedure to achieve self-assembly of targeted structures (Phys. Rev. Lett. 95, 228301…
Inverse design of morphing slender structures with programmable curvature has significant applications in various engineering fields. Most existing studies formulate it as an optimization problem, which requires repeatedly solving the…
Using a non-perturbative approximation for the partition function of a complex scalar model, which features spontaneous symmetry breaking, we explicitly derive the flattening of the effective potential in the region limited by the minima of…
Reversibility is a key issue in the interface between computation and physics, and of growing importance as miniaturization progresses towards its physical limits. Most foundational work on reversible computing to date has focussed on…
The generic structure of 4-point functions of fields residing in indecomposable representations of arbitrary rank is given. The presented algorithm is illustrated with some non-trivial examples and permutation symmetries are exploited to…
It is well-known that for expansive maps and continuous potential functions, the specification property (for the map) and the Bowen property (for the potential) together imply the existence of a unique equilibrium state. We consider…
Experiments have reached a monumental capacity for designing and synthesizing microscopic particles for self-assembly, making it possible to precisely control particle concentrations, shapes, and interactions. However, more physical insight…
Functional soft materials, comprising colloidal and molecular building blocks that self-organize into complex structures as a result of their tunable interactions, enable a wide array of technological applications. Inverse methods provide…