Related papers: A Wigner Matrix Based Convolution Algorithm For Ma…
Matrix elements of spherical tensor operators are fundamental to the analysis of lanthanide spectra in both amorphous and crystalline host materials. In the intermediate coupling scheme, the eigenvectors of the Hamiltonian define the…
Asymptotics-based configuration-interaction (CI) methods [G. Friesecke and B. D. Goddard, Multiscale Model. Simul. 7, 1876 (2009)] are a class of CI methods for atoms which reproduce, at fixed finite subspace dimension, the exact…
Wigner crystals are prime candidates for the realization of regular electron lattices under minimal requirements on external control and electronics. However, several technical challenges have prevented their detailed experimental…
Tight binding (TB) models are one approach to the quantum mechanical many particle problem. An important role in TB models is played by hopping and overlap matrix elements between the orbitals on two atoms, which of course depend on the…
Computationally intensive Inference tasks of Deep neural networks have enforced revolution of new accelerator architecture to reduce power consumption as well as latency. The key figure of merit in hardware inference accelerators is the…
The so-called matrix-element method (MEM) has long been used successfully as a classification tool in particle physics searches. In the presence of invisible final state particles, the traditional MEM typically assigns probabilities to an…
Robust Principal Component Analysis (RPCA) and its associated non-convex relaxation methods constitute a significant component of matrix completion problems, wherein matrix factorization strategies effectively reduce dimensionality and…
In this work, we propose a new randomized algorithm for computing a low-rank approximation to a given matrix. Taking an approach different from existing literature, our method first involves a specific biased sampling, with an element being…
We study the inverse problem of tuning interaction parameters between charged colloidal particles interacting with a hard-core repulsive Yukawa potential, so that they assemble into specified crystal structures. Here, we target the…
We introduce Monte-Carlo Attention (MCA), a randomized approximation method for reducing the computational cost of self-attention mechanisms in Transformer architectures. MCA exploits the fact that the importance of each token in an input…
While recent work towards the development of tight-binding and ab-initio algorithms has focused on molecular dynamics, Monte Carlo methods can often lead to better results with relatively little effort. We present here a multi-step Monte…
The theory of a novel bond-order potential, which is based on the block Lanczos algorithm, is presented within an orthogonal tight-binding representation. The block scheme handles automatically the very different character of sigma and pi…
A mechanism for orientation of bilayer classical Wigner crystals in a piezoelectric medium is considered. For the GaAs system the piezoelectric correction to the electrostatic interaction between electrons is calculated. It is shown that…
Analyses in high energy physics aim to put the Standard Model---the commonly accepted theory---to test. For convincing conclusions, analysis methods are needed which offer an unambiguous comparison between data and theory while allowing…
For moir\'e bilayer TMD superlattices, full-configuration-interaction (FCI) calculations are presented that take into account both the intra-moir\'e-quantum-dot (MQD) charge-carrier Coulombic interactions, as well as the crystal-field…
We optimize the matrix representation of the nucleon-pair approximation (NPA) of the nuclear shell model. The NPA is a widely adopted truncation approach of the nuclear shell model and proves to be effective in describing low-lying states…
This research demonstrates that Ising machines can effectively solve optimal elemental configuration searches in crystals, with Au-Cu alloys serving as an example. The energy function is derived using the cluster expansion method in the…
A review of methods for finding general expressions for matrix elements (non-diagonal with respect to configurations included) of any one- and two-particle operator for an arbitrary number of shells in an atomic configuration is given.…
Designing topological materials with specific topological indices is a complex inverse problem, traditionally tackled through manual, intuition-driven methods that are neither scalable nor efficient for exploring the vast space of possible…
In this article we extend the adaptive cross approximation (ACA) method known for the efficient approximation of discretisations of integral operators to a block-adaptive version. While ACA is usually employed to assemble hierarchical…