Related papers: Some mathematical insights on Density Matrix Embed…
While compactness is an essential assumption for many results in dynamical systems theory, for many applications the state space is only locally compact. Here we provide a general theory for compactifying such systems, i.e. embedding them…
To properly solve the coincidence problem ($\Omega_\mathrm{DM} \simeq 5\Omega_\mathrm{VM}$) in a model of asymmetric dark matter, one cannot simply relate the number densities of visible and dark matter without also relating their particle…
Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…
Electronic density of states (DOS) is a key factor in condensed matter physics and material science that determines the properties of metals. First-principles density-functional theory (DFT) calculations have typically been used to obtain…
Mean-field theories have proven to be efficient tools for exploring diverse phases of matter, complementing alternative methods that are more precise but also more computationally demanding. Conventional mean-field theories often fall short…
Due to advances in computer hardware and new algorithms, it is now possible to perform highly accurate many-body simulations of realistic materials with all their intrinsic complications. The success of these simulations leaves us with a…
We extend the density matrix renormalization group to compute exact ground states of continuum many-electron systems in one dimension with long-range interactions. We find the exact ground state of a chain of 100 strongly correlated…
In these notes I explain how to describe one-dimensional quantum systems that are simultaneously near to, but not exactly at, a critical point, and in a far-from-equilibrium steady state. This description uses a density matrix on scattering…
We consider density matrices which are sums of projectors on states spanning irreducible representations of the permutation group of L sites (eigenstates of permutational invariant quantum system with L sites) and construct the reduced…
In the point set embeddability problem, we are given a plane graph $G$ with $n$ vertices and a point set $S$ with $n$ points. Now the goal is to answer the question whether there exists a straight-line drawing of $G$ such that each vertex…
We present a generalization of the Li, Nunes and Vanderbilt density-matrix method to the case of a non-orthogonal set of basis functions. A representation of the real-space density matrix is chosen in such a way that only the overlap…
Natural image matting is a fundamental and challenging computer vision task. Conventionally, the problem is formulated as an underconstrained problem. Since the problem is ill-posed, further assumptions on the data distribution are required…
We investigate the structure of fixed point sets of self-embeddings of models of arithmetic. In particular, given a countable nonstandard model M of a modest fragment of Peano arithimetic, we provide complete characterizations of (a) the…
Simulations of complex physical systems are typically realized by discretizing partial differential equations (PDEs) on unstructured meshes. While neural networks have recently been explored for surrogate and reduced order modeling of PDE…
The reduced-density-matrix method is an promising candidate for the next generation electronic structure calculation method; it is equivalent to solve the Schr\"odinger equation for the ground state. The number of variables is the same as a…
A density functional theory is developed for fermions in one dimension, interacting via a delta-function. Such systems provide a natural testing ground for questions of principle, as the local density approximation should work well for…
We present a novel algorithm to compute the density of states, which is proven to converge to the correct result. The algorithm is very general and can be applied to a wide range of models, in the frameworks of Statistical Mechanics and…
Ensemble Density Functional Theory (EDFT) is a generalization of ground-state Density Functional Theory (GS DFT), which is based on an exact formal theory of finite collections of a system's ground and excited states. EDFT in various forms…
We propose a new molecular simulation framework that combines the transferability, robustness and chemical flexibility of an ab initio method with the accuracy and efficiency of a machine learned force field. The key to achieve this mix is…
In this paper, we study the stability and convergence of a decoupled and linearized mixed finite element method (FEM) for incompressible miscible displacement in a porous media whose permeability and porosity are discontinuous across some…