1 citations · 1 across the 6 of their papers we have counts for
8 papers
Enabling AI Deep Potentials for Ab Initio-quality Molecular Dynamics Simulations in GROMACS
Andong Hu, Luca Pennati, Stefano Markidis +1
State-of-the-art AI deep potentials provide ab initio-quality results, but at a fraction of the computational cost of first-principles quantum mechanical calculations, such as dens…
QPU Micro-Kernels for Stencil Computation
Stefano Markidis, Luca Pennati, Marco Pasquale +2
We introduce QPU micro-kernels: shallow quantum circuits that perform a stencil node update and return a Monte Carlo estimate from repeated measurements. We show how to use them to…
An HPC-Inspired Blueprint for a Technology-Agnostic Quantum Middle Layer
Stefano Markidis, Gilbert Netzer, Luca Pennati +1
We present a blueprint for a quantum middle layer that supports applications across various quantum technologies. Inspired by concepts and abstractions from HPC libraries and middl…
Exascale Implicit Kinetic Plasma Simulations on El~Capitan for Solving the Micro-Macro Coupling in Magnetospheric Physics
Stefano Markidis, Andong Hu, Ivy Peng +9
Our fully kinetic, implicit Particle-in-Cell (PIC) simulations of global magnetospheres on up to 32,768 of El Capitan's AMD Instinct MI300A Accelerated Processing Units (APUs) repr…
A Hybrid Quantum-Classical Particle-in-Cell Method for Plasma Simulations
Pratibha Raghupati Hegde, Paolo Marcandelli, Yuanchun He +4
We present a hybrid quantum-classical electrostatic Particle-in-Cell (PIC) method, where the electrostatic field Poisson solver is implemented on a quantum computer simulator using…
Discovering Governing Equations of Geomagnetic Storm Dynamics with Symbolic Regression
Stefano Markidis, Jonah Ekelund, Luca Pennati +2
Geomagnetic storms are large-scale disturbances of the Earth's magnetosphere driven by solar wind interactions, posing significant risks to space-based and ground-based infrastruct…