Related papers: CheasePy
BayesPy is an open-source Python software package for performing variational Bayesian inference. It is based on the variational message passing framework and supports conjugate exponential family models. By removing the tedious task of…
Quantum phase estimation (QPE) is a cornerstone of quantum algorithms designed to estimate the eigenvalues of a unitary operator. QPE is typically implemented through two paradigms with distinct circuit structures: quantum Fourier…
High-temperature superconducting (HTS) magnets and other advances have led to renewed interest in magnetic mirrors for fusion energy. The non-Maxwellian nature of mirror plasmas necessitates kinetic modeling to predict, optimize and design…
Axisymmetric free-boundary equilibrium reconstructions of tokamak plasmas in the Lithium Tokamak eXperiment (LTX) are performed using the PSI-Tri equilibrium code. Reconstructions in LTX are complicated by the presence of long-lived…
When matter is exposed to a high-intensity x-ray free-electron-laser pulse, the x rays excite inner-shell electrons leading to the ionization of the electrons through various atomic processes and creating high-energy-density plasma, i.e.,…
CHEMSMART (Chemistry Simulation and Modeling Automation Toolkit) is an open-source, Python-based framework designed to streamline quantum chemistry workflows for homogeneous catalysis and molecular modeling. By integrating job preparation,…
A new parallel equilibrium reconstruction code for tokamak plasmas is presented. GPEC allows to compute equilibrium flux distributions sufficiently accurate to derive parameters for plasma control within 1 ms of runtime which enables…
Equations governing physico-chemical processes are usually known at microscopic spatial scales, yet one suspects that there exist equations, e.g. in the form of Partial Differential Equations (PDEs), that can explain the system evolution at…
Computing Nash equilibria of zero-sum games in classical and quantum settings is extensively studied. For general-sum games, computing Nash equilibria is PPAD-hard and the computing of a more general concept called correlated equilibria has…
It is needed to solve generalized eigenvalue problems (GEP) in many applications, such as the numerical simulation of vibration analysis, quantum mechanics, electronic structure, etc. The subspace iteration is a kind of widely used…
We present an implementation of the Schwarzschild orbit superposition method which can be used for constructing self-consistent equilibrium models of barred or non-barred disc galaxies, or of elliptical galaxies with figure rotation. This…
This paper studies convex Generalized Nash Equilibrium Problems (GNEPs) that are given by polynomials. We use rational and parametric expressions for Lagrange multipliers to formulate efficient polynomial optimization for computing…
We study the non-equilibrium dynamics of Axion-like particles (ALP) coupled to Standard Model degrees of freedom in thermal equilibrium. The Quantum Master Equation (QME) for the (ALP) reduced density matrix is derived to leading order in…
Using a simple circular tokamak geometry, we show the well-known `second stability region' of MHD-ballooning modes exists for linear gyrokinetics too -- whether electrostatic or electromagnetic -- and we suggest that the plasma enters this…
Physics-Informed Neural Networks (PINNs) have proven effective in solving partial differential equations (PDEs), especially when some data are available by seamlessly blending data and physics. However, extending PINNs to high-dimensional…
Sequential Quadratic Programming (SQP) is a powerful class of algorithms for solving nonlinear optimization problems. Local convergence of SQP algorithms is guaranteed when the Hessian approximation used in each Quadratic Programming…
The solution of optimization problems constrained by partial differential equations (PDEs) plays an important role in many areas of science and industry. In this work we present cashocs, a new software package written in Python, which…
While many astrophysical plasmas can be modelled successfully assuming ionisation and thermal equilibrium, in some cases this is not appropriate and a non-equilibrium approach is required. In nebulae around evolved stars the local elemental…
Modeling plasma accelerators is a computationally challenging task and the quasi-static particle-in-cell algorithm is a method of choice in a wide range of situations. In this work, we present the first performance-portable, quasi-static,…
In this paper, we propose two efficient fully-discrete schemes for Q-tensor flow of liquid crystals by using the first- and second-order stabilized exponential scalar auxiliary variable (sESAV) approach in time and the finite difference…