David M Benoit (D M Benoit)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 12

Top Venues

The Journal of chemical physics

PeerJ. Computer science

Inorganic chemistry

Journal of chemical theory and computation

University of Hull

University College London (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Hull

United Kingdom

Senior Lecturer in Molecular Physics and Astrochemistry :: Physics

University of Hull

United Kingdom

Senior Lecturer in Physical Chemistry :: Chemistry

University of Hull

United Kingdom

Lecturer in Physical Chemistry :: Chemistry

University of Ulm

Germany

Research group leader in theoretical chemistry

Queen Mary University of London

United Kingdom

Lecturer in physical chemistry i :: Chemistry

University College London

United Kingdom

Lecturer in computational chemistry :: Chemistry

Queen Mary University of London

United Kingdom

Lecturer in physical chemistry :: Chemistry

Swiss National Supercomputing Centre

Switzerland

Staff scientist :: Parrinello

Max-Planck-Institut für Festkörperforschung

Germany

Post-doctoral scientist :: Parrinello

Education History

University College London

United Kingdom

PHD

Publications

Kiri S Newson, David M Benoit, Andrew W Beavis
Encoder-decoder convolutional neural network for simple CT segmentation of COVID-19 infected lungs. PeerJ. Computer science 10 (2024)
Kiri S Newson, David M Benoit, Andrew W Beavis
Encoder-decoder convolutional neural network for simple CT segmentation of COVID-19 infected lungs. PeerJ. Computer science 10 (2024)
Kiri S Newson, David M Benoit, Andrew W Beavis
Encoder-decoder convolutional neural network for simple CT segmentation of COVID-19 infected lungs. PeerJ. Computer science 10 (2024)
Ahai Chen, David M Benoit, Yohann Scribano, André Nauts, David Lauvergnat
Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions. Journal of chemical theory and computation 18 (7) (2022)
Thomas W Price, Isaline Renard, Timothy John Prior, Vojtěch Kubíček, David M Benoit, Stephen J Archibald, Anne-Marie Seymour, Petr Hermann, Graeme J Stasiuk
Bn 2 DT3A , a Chelator for 68 Ga Positron Emission Tomography: Hydroxide Coordination Increases Biological Stability of [ 68 Ga][Ga(Bn 2 DT3A)(OH)] . Inorganic chemistry 61 (43) (2022)
Hannes C Gottschalk, Anja Poblotzki, Mariyam Fatima, Daniel A Obenchain, Cristóbal Pérez, Jens Antony, Alexander A Auer, Leonardo Baptista, David M Benoit, Giovanni Bistoni, Fabian Bohle, Rahma Dahmani, Dzmitry Firaha, Stefan Grimme, Andreas Hansen, Michael E Harding, Majdi Hochlaf, Christof Holzer, Georg Jansen, Willem Klopper, Wassja A Kopp, Małgorzata Krasowska, Leif C Kröger, Kai Leonhard, Muneerah Mogren Al-Mogren, Halima Mouhib, Frank Neese, Max N Pereira, Muthuramalingam Prakash, Inga S Ulusoy, Ricardo A Mata, Martin A Suhm, Melanie Schnell
The first microsolvation step for furans: New experiments and benchmarking strategies. The Journal of chemical physics 152 (16) (2020)
Peter M Felker, David Lauvergnat, Yohann Scribano, David M Benoit, Zlatko Bačić
Intramolecular stretching vibrational states and frequency shifts of (H2)2 confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets. The Journal of chemical physics 151 (12) (2019)
Hannes C Gottschalk, Anja Poblotzki, Martin A Suhm, Muneerah M Al-Mogren, Jens Antony, Alexander A Auer, Leonardo Baptista, David M Benoit, Giovanni Bistoni, Fabian Bohle, Rahma Dahmani, Dzmitry Firaha, Stefan Grimme, Andreas Hansen, Michael E Harding, Majdi Hochlaf, Christof Holzer, Georg Jansen, Willem Klopper, Wassja A Kopp, Leif C Kröger, Kai Leonhard, Halima Mouhib, Frank Neese, Max N Pereira, Inga S Ulusoy, Axel Wuttke, Ricardo A Mata
The furan microsolvation blind challenge for quantum chemical methods: First steps. The Journal of chemical physics 148 (1) (2018)
Christina C Roggatz, Mark Lorch, David M Benoit
Influence of Solvent Representation on Nuclear Shielding Calculations of Protonation States of Small Biological Molecules. Journal of chemical theory and computation 14 (5) (2018)
Anna Powers, Yohann Scribano, David Lauvergnat, Elsy Mebe, David M Benoit, Zlatko Bačić
The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates. The Journal of chemical physics 148 (14) (2018)
Y Makina, K Mahjoubi, David M Benoit, N-E Jaidane, M Mogren Al-Mogren, Majdi Hochlaf
Periodic Dispersion-Corrected Approach for Isolation Spectroscopy of N2 in an Argon Environment: Clusters, Surfaces, and Matrices. The journal of physical chemistry. A 121 (21) (2017)
Natalya A Vorotnikova, Yuri A Vorotnikov, Igor N Novozhilov, Mikhail M Syrokvashin, Vladimir A Nadolinny, Natalia V Kuratieva, David M Benoit, Yuri V Mironov, Richard I Walton, Guy J Clarkson, Soichiro Akagi, Andrew J Sutherland, Michael A Shestopalov, Olga A Efremova
23-Electron Octahedral Molybdenum Cluster Complex [{Mo6I8}Cl6]. Inorganic chemistry 57 (2) (2017)

David M Benoit.css-eqlu8i{font-size:small;padding-left:4px;} (D M Benoit)

Publication Activity (10 Years)

Top Topics

Top Venues

David M Benoit (D M Benoit)