Related papers: Bodge: Python package for efficient tight-binding …
We study a one-dimensional system of strongly correlated bosons on a dynamical lattice. To this end, we extend the standard Bose-Hubbard Hamiltonian to include extra degrees of freedom on the bonds of the lattice. We show that this minimal…
Deep learning has had remarkable success in robotic perception, but its data-centric nature suffers when it comes to generalizing to ever-changing environments. By contrast, physics-based optimization generalizes better, but it does not…
Haydi (http://haydi.readthedocs.io) is a framework for generating discrete structures. It provides a way to define a structure from basic building blocks and then enumerate all elements, all non-isomorphic elements, or generate random…
Simphony is an open-source software package designed for the topological analysis of lattice vibrations based on Wannier tight-binding models. Its primary function is to classify the topology of novel materials by computing bulk and slab…
Designing metamaterials that carry out advanced computations poses a significant challenge. A powerful design strategy splits the problem into two steps: First, encoding the desired functionality in a discrete or tight-binding model, and…
BasisGen is a Python package for the automatic generation of bases of operators in effective field theories. It accepts any semisimple symmetry group and fields in any of its finite dimensional irreducible representations. It takes into…
We introduce a lattice model of protein conformations which is able to reproduce second structures of proteins (alpha--helices and beta--sheets). This model is based on the following two main ideas. First, we model backbone parts of amino…
The specific rotational alignment of two-dimensional lattices results in a moir\'e superlattice with a larger period than the original lattices and allows one to engineer the electronic band structure of such materials. So far, transport…
In wheel rail adhesion studies, most of the test rigs used are simplified designs such as a single wheel or wheelset, but the results may not be accurate. Alternatively, representing the complex system by using a full vehicle model provides…
Most large engineering structures are described as assemblies of plates and shells and they are computed as such using adhoc Finite Element packages. In fact their computation in 3D would be much too costly. In this framework, the…
We analyze an experimentally realizable model of bosons in a zig-zag optical lattice, showing that by rapidly modulating the magnetic field one can tune interaction parameters and realize an analog of the Haldane phase. We explain how…
This paper describes PyOED, a highly extensible scientific package that enables developing and testing model-constrained optimal experimental design (OED) for inverse problems. Specifically, PyOED aims to be a comprehensive Python toolkit…
We define an infinite class of ``frustration-free'' interacting lattice quantum Hamiltonians for bosons, constructed such that their exact ground states have a density distribution specified by the Boltzmann weight of a corresponding…
This paper describes a massively parallel code for a state-of-the art thermal lattice- Boltzmann method. Our code has been carefully optimized for performance on one GPU and to have a good scaling behavior extending to a large number of…
This PhD thesis gives a comprehensive treatment of ab initio lattice Monte Carlo simulations of ultracold Bose gases by means of the complex Langevin algorithm. Since the field-theoretic action of non-relativistic bosons is a complex…
We present the ALPS (Algorithms and Libraries for Physics Simulations) project, an international open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models…
Hyperbolic neural networks have emerged as a powerful tool for modeling hierarchical data across diverse modalities. Recent studies show that token distributions in foundation models exhibit scale-free properties, suggesting that hyperbolic…
We introduce spiral boundary conditions (SBCs) as a useful tool for handling the shape of finite-size periodic clusters. Using SBCs, a lattice model for more than two dimensions can be exactly projected onto a one-dimensional (1D) periodic…
We present the Python package CELL, which provides a modular approach to the cluster expansion (CE) method. CELL can treat a wide variety of substitutional systems, including one-, two-, and three-dimensional alloys, in a general…
Hydrogen bonds and other non-covalent interactions play a crucial role in maintaining the structural integrity and functionality of biological macromolecules such as proteins and nucleic acids. Accurate identification and analysis of these…