Related papers: Application of symbolic programming for atomic man…
General formulas of the two-electron operator representing either atomic or effective interactions are given in a coupled tensorial form in relativistic approximation. The alternatives of using uncoupled, coupled and antisymmetric…
Path integral-based simulation methodologies play a crucial role for the investigation of nuclear quantum effects by means of computer simulations. However, these techniques are significantly more demanding than corresponding classical…
Quantum trajectory methods can be used for a wide range of open quantum systems to solve the master equation by unraveling the density operator evolution into individual stochastic trajectories in Hilbert space. This C++ class library…
This talk describes how a combination of symbolic computation techniques with first-order theorem proving can be used for solving some challenges of automating program analysis, in particular for generating and proving properties about the…
The manipulation of the quantum states of light in linear optical systems has multiple applications in quantum optics and quantum computation. The package QOptCraft gives a collection of methods to solve some of the most usual problems when…
A visual programming language uses pictorial tools such as diagrams to represent its structural units and control stream. It is useful for enhancing understanding, maintenance, verification, testing, and parallelism. This paper proposes a…
The practical use of non-Hermitian (i.e., typically, PT-symmetric) phenomenological quantum Hamiltonians is discussed as requiring an explicit reconstruction of the {\em ad hoc} Hilbert-space metrics which would render the time-evolution…
We present $\texttt{NPointFunctions}$, a package to incorporate desired amplitudes and observables for an arbitrary BSM model in $\texttt{FlexibleSUSY}$. The package relies on the $\texttt{SARAH}$-generated output used with…
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum…
We present a Mathematica package designed to automatize the expansion of QFT transition amplitudes calculated in the mass eigenstates basis (i.e. expressed in terms of physical masses and mixing matrices) into series of "mass insertions",…
The behavior of polyatomic molecules around their equilibrium positions can be regarded as quantum coupled anharmonic oscillators. Solving the corresponding Schr\"odinger equations can interpret or predict experimental spectra of molecules.…
Making quantum mechanical equations and concepts come to life through interactive simulation and visualization are commonplace for augmenting learning and teaching. However, graphical visualizations nearly always exhibit a set of hard-coded…
The ongoing progress in (nuclear) many-body theory is accompanied by an ever-rising increase in complexity of the underlying formalisms used to solve the stationary Schr\"odinger equation. The associated working equations at play in…
We have investigated plasma-surface interactions with molecular dynamics (MD) simulations. It, however, is high cost computation and is limited to simulations for materials of nanometer order. In order to overcome the limitation, a…
A large class of Feynman integrals, like e.g., two-point parameter integrals with at most one mass and containing local operator insertions, can be transformed to multi-sums over hypergeometric expressions. In this survey article we present…
\textsc{Quantum Package} is an open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected configuration interaction (sCI) methods…
State-of-the-art neural models of source code tend to be evaluated on the generation of individual expressions and lines of code, and commonly fail on long-horizon tasks such as the generation of entire method bodies. We propose to address…
A Mathematica package for color summed calculations in QCD (SU(Nc)) is presented. Color contractions of any color amplitude appearing in QCD may be performed, and the package uses a syntax which is very similar to how color structure is…
Background: Current nomogram can only be created for regression algorithm. Providing nomogram for any machine learning (ML) algorithms may accelerate model deployment in clinical settings or improve model availability. We developed an R…
While historically many quantum mechanical simulations of molecular dynamics have relied on the Born-Oppenheimer approximation to separate electronic and nuclear behavior, recently a lot of interest has arisen towards quantum effects in…