George K. Holt

We present the FreeGSNKE pulse design tool (FPDT), an open-source, Python-based computational framework that enables in silico testing and predictive design of tokamak plasma scenarios and control strategies. The FPDT couples the FreeGSNKE evolutive equilibrium solver with a virtual plasma control system (PCS) containing modular and customisable controllers. Given a set of user-defined waveforms and control parameters, the virtual PCS uses feedback and feedforward control to modulate plasma current, position, and shape, while adhering to machine safety limits on poloidal field (PF) coil currents and voltages. The resulting framework allows simulation of the controlled dynamic evolution of plasma equilibria, along with the currents in both active PF coils and passive conducting structures, under the assumption of axisymmetry. The FPDT can be used to develop plasma scenarios, test control schemes, calibrate control parameters, and perform uncertainty quantification studies, thereby reducing iterative and expensive experimental testing on a physical tokamak. The FPDT is machine-agnostic and can be customised to implement different control algorithms tailored to the specific tokamak of interest. Here, we outline the overall framework and validate its performance on plasma discharges on the MAST Upgrade tokamak in the ‘flat-top’ phase. We demonstrate excellent quantitative agreement between the FPDT simulations, the desired control waveforms, and the experimental shot data. With this extension to the FreeGSNKE open-source suite of codes we aim to encourage more reproducible and collaborative research in plasma modeling and control.

We present TokaMind, an open-source foundation model framework for fusion plasma modeling, based on a Multi-Modal Transformer (MMT) and trained on heterogeneous tokamak diagnostics from the publicly available MAST dataset. TokaMind supports multiple data modalities (time-series, 2D profiles, and videos) with different sampling rates, robust missing-signal handling, and efficient task adaptation via selectively loading and freezing four model components. To represent multi-modal signals, we use a training-free Discrete Cosine Transform embedding (DCT3D) and provide a clean interface for alternative embeddings (e.g., Variational Autoencoders - VAEs). We evaluate TokaMind on the recently introduced MAST benchmark TokaMark, comparing training and embedding strategies. Our results show that fine-tuned TokaMind outperforms the benchmark baseline on all but one task, and that, for several tasks, lightweight fine-tuning yields better performance than training the same architecture from scratch under a matched epoch budget. These findings highlight the benefits of multi-modal pretraining for tokamak plasma dynamics and provide a practical, extensible foundation for future fusion modeling tasks. Training code and model weights will be made publicly available.

A surrogate model for particle-in-cell plasma simulations based on a graph neural network is presented. The graph is constructed in such a way as to enable the representation of electromagnetic fields on a fixed spatial grid. The model is applied to simulate beams of electrons in one dimension over a wide range of temperatures, drift momenta and densities, and is shown to reproduce two-stream instabilities - a common and fundamental plasma instability. Qualitatively, the characteristic phase-space mixing of counterpropagating electron beams is observed. Quantitatively, the model's performance is evaluated in terms of the accuracy of its predictions of number density distributions, the electric field, and their Fourier decompositions, particularly the growth rate of the fastest-growing unstable mode, as well as particle position, momentum distributions, energy conservation and run time. The model achieves high accuracy with a time step longer than conventional simulation by two orders of magnitude. This work demonstrates that complex plasma dynamics can be learned and shows promise for the development of fast differentiable simulators suitable for solving forward and inverse problems in plasma physics.

A key aspect in the modelling of magnetohydrodynamic (MHD) equilibria in tokamak devices is having access to fast, accurate, and stable numerical simulation methods. There is an increasing demand for reliable methods that can be used to develop traditional or machine learning-based shape control feedback systems, optimise scenario designs, and integrate with other plasma edge or transport modelling codes. To handle such applications, these codes need to be flexible and, more importantly, they need to have been validated against both analytically known and real-world tokamak equilibria to ensure they are consistent and credible. In this paper, we are interested in solving the static forward Grad–Shafranov (GS) problem for free–boundary MHD equilibria. Our focus is on the validation of the static forward solver in the Python-based equilibrium code FreeGSNKE by solving equilibria from magnetics-only EFIT ++ reconstructions of MAST-U shots. In addition, we also validate FreeGSNKE against equilibria simulated using the well-established MATLAB-based equilibrium code Fiesta. To do this, we develop a computational pipeline that allows one to load the same (a)symmetric MAST-U machine description into each solver, specify the required inputs (active/passive conductor currents, plasma profiles and coefficients, etc.) from EFIT++, and solve the GS equation for all available time slices across a shot. For a number of different MAST-U shots, we demonstrate that both FreeGSNKE and Fiesta can successfully reproduce various poloidal flux quantities and shape targets (e.g. midplane radii, magnetic axes, separatrices, X-points, and strikepoints) in agreement with EFIT++ calculations to a very high degree of accuracy. We also provide public access to the code/data required to load the MAST-U machine description in FreeGSNKE/Fiesta and reproduce the equilibria in the shots shown.

We present a Python-based numerical solver for the two-dimensional dynamic plasma equilibrium problem. We model the time evolution of toroidally symmetric free-boundary tokamak plasma equilibria in the presence of the non-linear magnetohydrodynamic coupling with both currents in the “active” poloidal field coils, with assigned applied voltages, and eddy currents in the tokamak passive structures. FreeGSNKE (FreeGS Newton–Krylov Evolutive) builds and expands on the framework provided by the Python package FreeGS (Free boundary Grad–Shafranov). FreeGS solves the static free-boundary Grad–Shafranov (GS) problem, discretized in space using finite differences, by means of Picard iterations. FreeGSNKE introduces: (i) a solver for the static free-boundary GS problem based on the Newton–Krylov (NK) method, with improved stability and convergence properties; (ii) a solver for the linearized dynamic plasma equilibrium problem; and (iii) a solver for the non-linear dynamic problem, based on the NK method. We propose a novel “staggered” solution strategy for the non-linear problem, in which we make use of a set of equivalent formulations of the non-linear dynamic problem we derive. The alternation of NK solution steps in the currents and in the plasma flux lends this strategy an increased resilience to co-linearity and stagnation problems, resulting in favorable convergence properties. FreeGSNKE can be used for any user-defined tokamak geometry and coil configuration. FreeGSNKE's flexibility and ease of use make it a suitably robust control-oriented simulator of plasma magnetic equilibria. FreeGSNKE is entirely written in Python and easily interfaced with Python libraries, which facilitates machine learning based approaches to plasma control.

The optimization of scenarios and design of real-time-control in tokamaks, especially for machines still in design phase, requires a comprehensive exploration of solutions to the Grad–Shafranov (GS) equation over a high-dimensional space of plasma and coil parameters. Emulators can bypass the numerical issues in the GS equation, if a large enough library of equilibria is available. We train an ensemble of neural networks to emulate the typical shape-control targets (separatrix at midplane, X-points, divertor strike point, flux expansion, and poloidal beta) as a function of plasma parameters and active coil currents for the range of plasma configurations relevant to spherical tokamaks with a super-X divertor, with percent-level accuracy. This allows a quick calculation of the classical-control shape matrices, potentially allowing real-time calculation at any point in a shot with submillisecond latency. We devise a hyperparameter sampler to select the optimal network architectures and quantify uncertainties on the model predictions. To generate the relevant training set, we devise a Markov-chain Monte Carlo algorithm to produce large libraries of forward Grad–Shafranov solutions without the need for user intervention. The algorithm promotes equilibria with desirable properties, while avoiding parameter combinations resulting in problematic profiles or numerical issues in the integration of the GS equation.

AI-driven materials discovery is evolving rapidly with new approaches and pipelines for experimentation and design. However, the pipelines are often designed in isolation. We introduce a modular reinforcement learning framework for inter-operable experimentation and design of tailored, novel molecular species. The framework unifies reinforcement learning (RL) pipelines and allows the mixing and matching of choices for the underlying chemical action space, molecular representation, desired molecular properties, and RL algorithm. Our demo showcases the framework's capabilities applied to benchmark problems like quantitative estimate of drug-likeness and PLogP, as well as the design of novel small molecule solvents for carbon capture.

A theoretical model is developed to describe the formation of microstructures due to plasma streaming instabilities in radially convergent geometries. Microstructures in the form of radial spokes are found experimentally in laser wakefield accelerators. The eigenvalues of a set of coupled linear ordinary differential equations are obtained and the complex wavenumbers calculated to give the local growth rates. The predictions are confirmed using particle-in-cell (PIC) simulations carried out for two counter-propagating converging/diverging plasma annuli. The simulations consistently demonstrate unstable growth for interactions between two counterpropagating annuli with different number densities. The growth rates obtained from the PIC simulations agree well with the growth rates from the semi-analytical model. The theory presented in this paper can provide powerful insight into converging plasma beams found in space and laboratory scale plasma.