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Microinstabilities drive turbulent fluctuations in inhomogeneous, magnetized plasmas. In the context of magnetic confinement fusion devices, this leads to an enhanced transport of particles, momentum, and energy, thereby degrading…
Fusion power production in tokamaks uses discharge configurations that risk producing strong Type I Edge Localized Modes. The largest of these modes will likely increase impurities in the plasma and potentially damage plasma facing…
Molecular dynamics (MD) simulations are widely used to study large-scale molecular systems. HPC systems are ideal platforms to run these studies, however, reaching the necessary simulation timescale to detect rare processes is challenging,…
One of the common tasks required for designing new plasma scenarios or evaluating capabilities of a tokamak is to design the desired equilibria using a Grad-Shafranov (GS) equilibrium solver. However, most standard equilibrium solvers are…
This interdisciplinary study, which combines machine learning, statistical methodologies, high-fidelity simulations, and flow physics, demonstrates a new process for building an efficient surrogate model for predicting spatiotemporally…
Controlling and monitoring plasma within a tokamak device is complex and challenging. Plasma off-normal events, such as disruptions, are hindering steady-state operation. For large devices, they can even endanger the machine's integrity and…
Computational modelling of metal-electrolyte reactions is central to the understanding and prediction of a wide range of physical phenomena, yet this is often challenging owing to the presence of numerical oscillations that arise due to…
We demonstrate an efficient and accurate, general-purpose first-principles blueprint for calculating anharmonic vibrational free energy and predicting structural phase transition temperatures of solids. Thermodynamic integration is…
In this paper, the turbulent transport properties of ST40 hot ion plasmas are examined and fully predictive time evolving modelling of a hot ion plasma pulse was performed. Understanding turbulent transport on spherical tokamaks (STs) is…
The steady-state confinement, beta limit, and divertor heat load are among the most concerned issues for toroidal confinement of fusion plasmas. In this work, we show that the negative triangularity tokamak has promising prospects to…
In the quest for controlled thermonuclear fusion, tokamaks present complex challenges in understanding burning plasma dynamics. This study introduces a multi-region multi-timescale transport model, employing Neural Ordinary Differential…
Grid decarbonization for climate change requires dispatchable carbon-free energy like nuclear fusion. The tokamak concept offers a promising path for fusion, but one of the foremost challenges in implementation is the occurrence of…
This paper provides a comprehensive review of the TRANSP code, a sophisticated tool for interpretive and predictive analysis of tokamak plasmas, detailing its major capabilities and features. It describes the equations for particle, power,…
Generating high-quality time series data has emerged as a critical research topic due to its broad utility in supporting downstream time series mining tasks. A major challenge lies in modeling the intrinsic stochasticity of temporal…
We present a novel approach to investigate the long-time stochastic dynamics of multi-dimensional classical systems, in contact with a heat-bath. When the potential energy landscape is rugged, the kinetics displays a decoupling of short and…
Predicting plasma evolution within a Tokamak reactor is crucial to realizing the goal of sustainable fusion. Capabilities in forecasting the spatio-temporal evolution of plasma rapidly and accurately allow us to quickly iterate over design…
Ab initio molecular dynamics (AIMD) based on density functional theory (DFT) has become a workhorse for studying the structure, dynamics, and reactions in condensed matter systems. Currently, AIMD simulations are primarily carried out at…
Phase diagrams (PDs) illustrate the relative stability of competing phases under varying conditions, serving as critical tools for synthesizing complex materials. Reliable phase diagrams rely on precise free energy calculations, which are…
The growing complexity and scale of scientific workflows in high performance computing (HPC) environments have led to significant challenges in managing energy consumption without compromising computational performance. Traditional…
The objective of this paper is to improve the accuracy and robustness of optimal power flow (OPF) formulations for distribution systems modeled down to the low-voltage point of connection of individual buildings. An approach for addressing…