Related papers: Application of symbolic programming for atomic man…
This paper presents a novel semantics for a quantum programming language by operator algebras, which are known to give a formulation for quantum theory that is alternative to the one by Hilbert spaces. We show that the opposite category of…
In this work we show that the standard method to obtain nucleation rate-predictions with the aid of atomistic Monte-Carlo simulations leads to nucleation rate predictions that deviate $3-5$ orders of magnitude from the recent brute-force…
Small and wide angle x-ray scattering tensor tomography are powerful methods for studying anisotropic nanostructures in a volume-resolved manner, and are becoming increasingly available to users of synchrotron facilities. The analysis of…
Atom probe tomography (APT) has matured to a versatile nanoanalytical characterization tool with applications that range from materials science to geology and possibly beyond. Already, well over 100 APT microscopes exist worldwide.…
A real-space formalism for density-functional perturbation theory (DFPT) is derived and applied for the computation of harmonic vibrational properties in molecules and solids. The practical implementation using numeric atom-centered…
This paper studies the construction of dynamic symbolic abstractions for nonlinear control systems via dynamic quantization. Since computational complexity is a fundamental problem in the use of discrete abstractions, a dynamic quantizer…
Genetic Programming is an evolutionary algorithm that generates computer programs, or mathematical expressions, to solve complex problems. In this Guide, we demonstrate how to use Genetic Programming to develop surrogate models to mitigate…
We present lightweight and generic symbolic methods to improve the precison of numerical static analyses based on Abstract Interpretation. The main idea is to simplify numerical expressions before they are fed to abstract transfer…
We present OGRe, a modern Mathematica package for tensor calculus, designed to be both powerful and user-friendly. The package can be used in a variety of contexts where tensor calculations are needed, in both mathematics and physics, but…
The goal of this presentation is to highlight various computational techniques used to study dynamics of quantum many-body systems. We examine the projection and variable phase methods being applied to multi-channel problems of scattering…
We describe a general purpose Mathematica package for computing Superfield Operator Product Expansions in meromorphic $N=2$ superconformal field theory. Given the SOPEs for a set of ``basic" superfields, SOPEs of arbitrarily complicated…
The established approach of perturbative continuous unitary transformations (pCUTs) constructs effective quantum many-body Hamiltonians as perturbative series that conserve the number of one quasiparticle type. We extend the pCUT method to…
The mathematical apparatus of quantum--mechanical angular momentum (re)coupling, developed originally to describe spectroscopic phenomena in atomic, molecular, optical and nuclear physics, is embedded in modern algebraic settings which…
Quantum computers could potentially simulate the dynamics of systems such as polyatomic molecules on a much larger scale than classical computers. We investigate a general quantum computational algorithm that simulates the time evolution of…
We propose an iterative algorithm to simulate the dynamics generated by any $n$-qubit Hamiltonian. The simulation entails decomposing the unitary time evolution operator $U$ (unitary) into a product of different time-step unitaries. The…
We present the $\textit{NumericalImplicitization}$ package for $\textit{Macaulay2}$, which allows for user-friendly computation of the invariants of the image of a polynomial map, such as dimension, degree, and Hilbert function values. This…
The process approach to NRQM offers a fourth framework for the quantization of physical systems. Unlike the standard approaches (Schrodinger-Heisenberg, Feynman, Wigner-Gronewald-Moyal), the process approach is not merely equivalent to NRQM…
SimOmics is an R package designed to generate realistic, multivariate, and multi-omics synthetic datasets. It is intended for use in benchmarking, method development, and reproducibility in bioinformatics, particularly in the context of…
We introduce \textsc{qcmath}, a user-friendly quantum chemistry software tailored for electronic structure calculations, implemented using the Wolfram Mathematica language and available at \url{https://github.com/LCPQ/qcmath}. This…
We report on a new version of FeynCalc, a well-known Mathematica package for symbolic computations in quantum field theory and provide some explicit examples for using the software in different types of calculations.