Related papers: GTPack: A Mathematica group theory package for app…
This article summarizes new features and enhancements of the first major update of Package-X. Package-X 2.0 can now generate analytic expressions for arbitrarily high rank dimensionally regulated tensor integrals with up to four distinct…
An open source software package for modelling thermal neutron transport is presented. The code facilitates Monte Carlo-based transport simulations and focuses in the initial release on interactions in both mosaic single crystals as well as…
An improved formulation of the one-step model of photoemission from crystal surfaces is proposed which overcomes different limitations of the original theory. Considering the results of an electronic-structure calculation, the electronic…
Overcoming the time scale limitations of atomistics can be achieved by switching from the state-space representation of Molecular Dynamics (MD) to a statistical-mechanics-based representation in phase space, where approximations such as…
Group field theories are quantum field theories built on groups. They can be seen as a tool to generate topological state-sums or quantum gravity models. For four dimensional manifolds, different arguments have pointed towards 2-groups…
The Atomic Cluster Expansion (Drautz, Phys. Rev. B 99, 2019) provides a framework to systematically derive polynomial basis functions for approximating isometry and permutation invariant functions, particularly with an eye to modelling…
Generalized probabilistic theories (GPTs) provide a framework in which a range of possible theories can be examined, including classical theory, quantum theory and those beyond. In general, enlarging the state space of a GPT leads to fewer…
The various non-linear transformations incurred by the rays in an optical system can be modelled by matrix products up to any desired order of approximation. Mathematica software has been used to find the appropriate matrix coefficients for…
Developing robust representations of chemical structures that enable models to learn topological inductive biases is challenging. In this manuscript, we present a representation of atomistic systems. We begin by proving that our…
Lattice gauge theory continues to be a powerful theoretical and computational approach to simulating strongly interacting quantum field theories, whose applications permeate almost all disciplines of modern-day research in High-Energy…
Generalized sampling is a numerically stable framework for obtaining reconstructions of signals in different bases and frames from their samples. In this paper, we will introduce a carefully documented toolbox for performing generalized…
This book covers a wide range of problems involving the applications of stochastic processes, stochastic calculus, large deviation theory, group representation theory and quantum statistics to diverse fields in dynamical systems,…
The increasing use of microfluidics in industrial, biomedical, and clinical applications requires a more and more precise control of the microfluidic flows and suspended particles or cells. This leads to higher demands in three-dimensional…
In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…
Gauge theories appear broadly in physics, ranging from the standard model of particle physics to long-wavelength descriptions of topological systems in condensed matter. However, systems with sign problems are largely inaccessible to…
Quantum systems of indistinguishable particles are commonly described using the formalism of second quantisation, which relies on the assumption that any admissible quantum state must be either symmetric or anti-symmetric under particle…
We introduce Geomstats, an open-source Python toolbox for computations and statistics on nonlinear manifolds, such as hyperbolic spaces, spaces of symmetric positive definite matrices, Lie groups of transformations, and many more. We…
The ability to rapidly test a variety of algorithms for an arbitrary state estimation task is valuable in the prototyping phase of navigation systems. Lie group theory is now mainstream in the robotics community, and hence estimation…
\pkg{multiplex} is a computer program that provides algebraic tools for the analysis of multiple network structures within the \proglang{R} environment. Apart from the possibility to create and manipulate multivariate data representing…
Academic Clinical Trial Units frequently face fragmented statistical workflows, leading to duplicated effort, limited collaboration, and inconsistent analytical practices. To address these challenges within an oncology Clinical Trial Unit,…