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Inexpensive modeling of quantum dynamics using path integral generalized Langevin equation thermostats

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Oxidative Defect Detection Within Free and Packed DNA Systems: A Quantum Mechanical/Molecular Mechanics (QM/ MM) Approach

Base excision repair enzymes (BERs) detect and repair oxidative DNA damage with efficacy despite the small size of the defects and their often only minor structural impact. A charge transfer (CT) model for rapid scanning of DNA stretches has been evoked to ...

Swiss Chemical Soc2024

Towards practical reinforcement learning for tokamak magnetic control

Federico Alberto Alfredo Felici, Cristian Galperti, Jonas Buchli, Brendan Tracey

Reinforcement learning (RL) has shown promising results for real-time control systems, including the domain of plasma magnetic control. However, there are still significant drawbacks compared to traditional feedback control approaches for magnetic confinem ...

Elsevier Science Sa2024

Adaptive variational low-rank dynamics for open quantum systems

Vincenzo Savona, Luca Gravina

We introduce a model-independent method for the efficient simulation of low-entropy systems, whose dynamics can be accurately described with a limited number of states. Our method leverages the time-dependent variational principle to efficiently integrate ...

Amer Physical Soc2024

Dynamical simulation via quantum machine learning with provable generalization

Zoë Holmes

Much attention has been paid to dynamical simulation and quantum machine learning (QML) independently as applications for quantum advantage, while the possibility of using QML to enhance dynamical simulations has not been thoroughly investigated. Here we d ...

Amer Physical Soc2024

Characterization of Transverse Instabilities Driven by Electron Cloud

Sofia Carolina Johannesson

Electron cloud continues to be one of the main limiting factors of the Large Hadron Collider (LHC), the biggest accelerator at CERN. These clouds form in the beam chamber when positively charged particles are passing through and cause unwanted effects in b ...

EPFL2024

Hybrid ground-state quantum algorithms based on neural Schrödinger forging

Giuseppe Carleo, Sofia Vallecorsa

Entanglement forging based variational algorithms leverage the bipartition of quantum systems for addressing ground-state problems. The primary limitation of these approaches lies in the exponential summation required over the numerous potential basis stat ...

Amer Physical Soc2024

Urban boundary-layer flows in complex terrain: Dynamic interactions during a hot and dry summer season in Phoenix, Arizona

Aldo Brandi

Anthropogenic modification of natural landscapes to urban environments impacts land-atmosphere interactions in the boundary layer. Ample research has demonstrated the effect of such landscape transitions on development of the urban heat island (UHI), but c ...

Wiley2024

Numerical Study of the Attosecond Free-Electron Laser Pulse Generation in the Soft X-ray Regime at the SwissFEL

Longdi Zhu

Isolated attosecond pulses from an X-ray free-electron laser are in high demand for attosecond science, which enables the probing of electron dynamics by X-ray nonlinear spectroscopy and single-particle imaging. The aim of this thesis is to simulate attos ...

EPFL2024

High-Resolution Modeling Without Computation Slowdown for PETALE in CROCUS

Andreas Pautz, Vincent Pierre Lamirand, Thomas Jean-François Ligonnet, Axel Guy Marie Laureau

In a collaboration between Ecole Polytechnique Fédérale de Lausanne (EPFL) and CEA, in the fall of 2020, the experimental Programme d’Étude en Transmission de l’Acier Lourd et ses Eléments (PETALE) was successfully carried out in the CROCUS reactor of EPFL ...

2024

A comprehensive stroke risk assessment by combining atrial computational fluid dynamics simulations and functional patient data

Alfio Quarteroni

Stroke, a major global health concern often rooted in cardiac dynamics, demands precise risk evaluation for targeted intervention. Current risk models, like the CHA 2 DS 2 -VASc \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepa ...

Nature Portfolio2024

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Oxidative Defect Detection Within Free and Packed DNA Systems: A Quantum Mechanical/Molecular Mechanics (QM/ MM) Approach

Ursula Röthlisberger

Swiss Chemical Soc2024

Urban boundary-layer flows in complex terrain: Dynamic interactions during a hot and dry summer season in Phoenix, Arizona

Aldo Brandi

Wiley2024

A comprehensive stroke risk assessment by combining atrial computational fluid dynamics simulations and functional patient data

Alfio Quarteroni

Nature Portfolio2024

Dynamical simulation via quantum machine learning with provable generalization

Zoë Holmes

Amer Physical Soc2024

Hybrid ground-state quantum algorithms based on neural Schrödinger forging

Giuseppe Carleo, Sofia Vallecorsa

Amer Physical Soc2024