Related papers: ABEL: The Adaptable Beginning-to-End Linac simulat…
Recent advances in both theory and computational power have created opportunities to simulate biomolecular processes more efficiently using adaptive ensemble simulations. Ensemble simulations are now widely used to compute a number of…
Commissioning of a large accelerator facility like FRIB needs support from an online beam dynamics model. Considering the new physics challenges of FRIB such as modeling of non-axisymmetric superconducting RF cavities and multi-charge state…
A linac (linear accelerator) is a system that allows to accelerate charged particles through a linear trajectory by electromagnetic fields. This kind of accelerator finds several applications in fundamental research and industry. The main…
Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near ab initio accuracy at significantly reduced computational cost, but their broader adoption is often limited by fragmented tooling, limited scalability,…
We present a minimal model for simulating dynamics of assorted lipid assemblies in a computationally efficient manner. Our model is particle-based and consists of coarse-grained beads put together on a modular platform to give generic…
Large-scale first principles molecular dynamics are crucial for simulating complex processes in chemical, biomedical, and materials sciences. However, the unfavorable time complexity with respect to system sizes leads to prohibitive…
The KEK 8-GeV electron / 3.5-GeV positron linac has been operated with very different beam specifications for downstream rings, KEKB, PF and PF-AR. For the reliable operation among these beam modes intelligent beam switching and beam…
A control oriented, lumped parameter model for the tokamak transformer including the slow flux penetration in the plasma (skin effect transformer model) is presented. The model does not require detailed or explicit information about plasma…
In this paper we present results of using parallel supercomputers to simulate beam dynamics in next-generation high intensity ion linacs. Our approach uses a three-dimensional space charge calculation with six types of boundary conditions.…
Quantum chemical simulations can be greatly accelerated by constructing machine learning potentials, which is often done using active learning (AL). The usefulness of the constructed potentials is often limited by the high effort required…
We set up a mapping procedure able to translate the evolution of the radial profile of fast ions, interacting with Toroidal Alfv\'en Eigenmodes, into the dynamics of an equivalent one dimensional bump-on-tail system. We apply this mapping…
Spallation source dedicated for neutron scattering experiments, as well as multi-purpose facilities serving several applications call for pulsed mode operation of a high intensity proton linac. There is general agreement on the…
Model-based plasma scenario development lies at the heart of the design and operation of future fusion powerplants. Including turbulent transport in integrated models is essential for delivering a successful roadmap towards operation of…
High efficiency is essential for plasma-wakefield accelerators to be a cost-effective alternative in high-power applications, such as a linear collider. However, in a plasma-wakefield accelerator the beam-breakup instability can be seeded…
The accelerator for the APT Project is a 100 mA CW proton linac with an output energy of 1030 MeV. A High Energy Beam Transport (HEBT) conveys the beam to a raster expander, that provides a large rectangular distribution at a target/blanket…
Recent advances in both theory and methods have created opportunities to simulate biomolecular processes more efficiently using adaptive ensemble simulations. Ensemble-based simulations are used widely to compute a number of individual…
Large language model (LLM) inference has been a prevalent demand in daily life and industries. The large tensor sizes and computing complexities in LLMs have brought challenges to memory, computing, and databus. This paper proposes a…
Simulations are vital for understanding and predicting the evolution of complex molecular systems. However, despite advances in algorithms and special purpose hardware, accessing the timescales necessary to capture the structural evolution…
A statistical emulator can be used as a surrogate of complex physics-based calculations to drastically reduce the computational cost. Its successful implementation hinges on an accurate representation of the nonlinear response surface with…
This paper proposes a novel extension of the Simplex architecture with model switching and model learning to achieve safe velocity regulation of self-driving vehicles in dynamic and unforeseen environments. To guarantee the reliability of…