Related papers: Pullback scheme implementation in ORB5
Offline reinforcement learning (offline RL) offers a promising framework for developing control strategies in chemical process systems using historical data, without the risks or costs of online experimentation. This work investigates the…
Long global gyrokinetic turbulence simulations are particularly challenging in situations where the system deviates strongly from its initial state and when fluctuation level are high e.g. in strong gradient regions. For Particle-in-Cell…
We develop a numerical Brillouin-zone integration scheme for real-time propagation of electronic systems with time-dependent density functional theory. This scheme is based on the decomposition of a large simulation into a set of small…
A numerical algorithm for studying strongly correlated electron systems is proposed. The groundstate wavefunction is projected out after numerical renormalization procedure in the path integral formalism. The wavefunction is expressed from…
The field of model order reduction (MOR) is growing in importance due to its ability to extract the key insights from complex simulations while discarding computationally burdensome and superfluous information. We provide an overview of MOR…
We review the algebraic definition of the efficiency of a polarization modulation scheme, which is commonly adopted for solar and stellar spectro-polarimetry applications, and generalize it to allow distinct states of the modulation cycle…
Turbulent flow control has numerous applications and building reduced-order models (ROMs) of the flow and the associated feedback control laws is extremely challenging. Despite the complexity of building data-driven ROMs for turbulence, the…
The hybrid kinetic-ion fluid-electron plasma model is widely used to study challenging multi-scale problems in space and laboratory plasma physics. Here, a novel conservative scheme for this model employing implicit particle-in-cell…
A new methodology is developed to integrate numerically the equations of motion for classical many-body systems in molecular dynamics simulations. Its distinguishable feature is the possibility to preserve, independently on the size of the…
In this work, we have formulated and implemented a mixed unstructured mesh-based finite element (FE)-Fourier decomposition scheme for gyrokinetic simulations in realistic tokamak geometry. An efficient particle positioning…
Molecular simulations of the forced unfolding and refolding of biomolecules or molecular complexes allow to gain important kinetic, structural and thermodynamic information about the folding process and the underlying energy landscape. In…
We construct a new error-suppression scheme that makes use of the adjoint of reversible quantum algorithms. For decoherence induced errors such as depolarization, it is presented that provided the depolarization error probability is less…
We discuss the fundamentals of the implicit moment method for Particle In Cell (PIC) simulation as presently implemented in the CELESTE3D code. We present the method in its fully electromagnetic and fully kinetic version. The application of…
Probabilistic error cancellation (PEC) is a technique that generates error-mitigated estimates of expectation values from ensembles of quantum circuits. In this work we extend the application of PEC from unitary-only circuits to dynamic…
Reduced-order models (ROMs) of turbulent flows based on Galerkin projection often require many degrees of freedom to resolve the dynamics of the turbulence, or simulation data to obtain an optimal modal basis. However, obtaining simulation…
The gyrokinetic particle simulation serves as a powerful tool for the studies of transport, nonlinear phenomenon, and energetic particle physics in tokamak plasmas. While most gyrokinetic simulations make use of the scalar and vector…
A recent paper by Huang et al. [Computer Physics Communications 207, 123 (2016)] thoroughly analyzed the Finite Grid Instability(FGI) and spectral fidelity of standard Particle-In-Cell (PIC) methods. Numerical experiments were carried out…
In this paper we study arbitrarily high-order energy-conserving methods for simulating the dynamics of a charged particle. They are derived and studied within the framework of Line Integral Methods (LIMs), previously used for defining…
A full-F, isothermal, electromagnetic, gyro-fluid model is used to simulate plasma turbulence in a COMPASS-sized, diverted tokamak. A parameter scan covering three orders of magnitude of plasma resistivity and two values for the ion to…
Designing economical magnetic confinement fusion power plants motivates computational tools that can estimate plasma behavior from engineering parameters without direct reliance on experimental measurement of the plasma profiles. In this…