A multiple time step algorithm for trajectory surface hopping simulations

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A portable γ spectroscopy detector for didactic applications

Federico Ronchetti

A γ spectroscopy standard system is normally based on inorganic scintillators or on HPGe detectors. The electronic chain consists of a set of NIM modules necessary for the acquisition and processing of the analog signal. The structural characteristics and ...

2023

The hunt for the Karman 'constant' revisited

Peter Monkewitz

The log law of the wall, joining the inner, near-wall mean velocity profile (MVP) in wall-bounded turbulent flows to the outer region, has been a permanent fixture of turbulence research for over hundred years, but there is still no general agreement on th ...

Cambridge University Press2023

Mitigating Ion Migration with an Ultrathin Self-Assembled Ionic Insulating Layer Affords Efficient and Stable Wide-Bandgap Inverted Perovskite Solar Cells

Paul Joseph Dyson, Yanyan Fang

Wide-bandgap perovskite solar cells (PSCs) are attracting increasing attention because they play an irreplaceable role in tandem solar cells. Nevertheless, wide-bandgap PSCs suffer large open-circuit voltage (V-OC) loss and instability due to photoinduced ...

WILEY-V C H VERLAG GMBH2023

Electrically driven insulator-to-metal transition in a correlated insulator: Electronic mechanism and thermal description

Camille Didier Georges Aron

Motivated by the resistive switchings in transition-metal oxides (TMOs) induced by a voltage bias, we study the far-from-equilibrium dynamics of an electric-field-driven strongly correlated model featuring a first-order insulator-to-metal transition at equ ...

2023

Modeling and characterization of the nucleation and growth of carbon nanostructures in physical synthesis

Kevin Rossi

Carbon nanostructures formed through physical synthesis come in a variety of sizes and shapes. With the end goal of rationalizing synthetic pathways of carbon nanostructures as a function of tunable parameters in the synthesis, we investigate how the initi ...

ELSEVIER2023

Quantum mixed state compiling

Zoë Holmes

The task of learning a quantum circuit to prepare a given mixed state is a fundamental quantum subroutine. We present a variational quantum algorithm (VQA) to learn mixed states which is suitable for near-term hardware. Our algorithm represents a generaliz ...

IOP Publishing Ltd2023

Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows

Giovanni Pizzi, Antimo Marrazzo, Junfeng Qiao

The automation of ab initio simulations is essential in view of performing high-throughput (HT) computational screenings oriented to the discovery of novel materials with desired physical properties. In this work, we propose algorithms and implementations ...

NATURE PORTFOLIO2023