activity
20172025
most citedA Smolyak algorithm adapted to a system-bath separation: application to an encapsulated molecule with large amplitude motions

12 citations · 22 across the 6 of their papers we have counts for

collaborators

8 papers

astro-ph.IM2025

The Online Data Filter for the KM3NeT Neutrino Telescopes

O. Adriani, S. Aiello, A. Albert +279

The KM3NeT research infrastructure comprises two neutrino telescopes located in the deep waters of the Mediterranean Sea, namely ORCA and ARCA. KM3NeT/ORCA is designed for the meas…

astro-ph.IM2023

Embedded Software of the KM3NeT Central Logic Board

S. Aiello, A. Albert, S. Alves Garre +271

The KM3NeT Collaboration is building and operating two deep sea neutrino telescopes at the bottom of the Mediterranean Sea. The telescopes consist of latices of photomultiplier tub…

astro-ph.IM2023★ 7 cited

Noise reduction on single-shot images using an autoencoder

Oliver. J. Bartlett, David. M. Benoit, Kevin. A. Pimbblet +2

We present an application of autoencoders to the problem of noise reduction in single-shot astronomical images and explore its suitability for upcoming large-scale surveys. Autoenc…

physics.chem-ph2022

A pathway to accurate potential energy curves on NISQ devices

Ryan Ward, David M. Benoit, Francesco Benfenati

We present a practical workflow to compute the potential energy curve of the hydrogen molecule on near intermediate-scale quantum (NISQ) devices. The proposed approach uses an extr…

physics.atom-ph2022★ 12 cited

A Smolyak algorithm adapted to a system-bath separation: application to an encapsulated molecule with large amplitude motions

Ahai Chen, David M. Benoit, Yohann Scribano +2

A Smolyak algorithm adapted to system-bath separation is proposed for rigorous quantum simulations. This technique combines a sparse grid method with the system-bath concept in a s…

cond-mat.mtrl-sci2021★ 2 cited

The vibrational properties of benzene on an ordered water ice surface

Victoria H. J. Clark, David M. Benoit

We present a hybrid CCSD(T)+PBE-D3 approach to calculating the vibrational signatures for gas phase benzene and benzene adsorbed on an ordered water-ice surface. We compare the res…

physics.chem-ph2021★ 1 cited

A Large-scale Approach to Modelling Molecular Biosignatures: The Diatomics

Thomas M. Cross, David M. Benoit, Marco Pignatari +1

This work presents the first steps to modelling synthetic rovibrational spectra for all molecules of astrophysical interest using a new approach implemented in the Prometheus code.…

q-bio.BM2017

The influence of solvent representation on nuclear shielding calculations of protonation states of small biological molecules

Christina C. Roggatz, Mark Lorch, David M. Benoit

In this study, we assess the influence of solvation on the accuracy and reliability of nuclear shielding calculations for amino acids in comparison to experimental data. We focus p…