Torch

Dr David Benoit

Senior Lecturer in Molecular Physics and Astrochemistry

Summary

David was appointed lecturer at the University of Hull in 2011 and promoted to senior lecturer in 2014.

He previously led a research group in computational chemistry at the University of Ulm, Germany, from 2005.

This followed lectureships in physical chemistry at Queen Mary, University of London (2002-2003) and in computational chemistry at University College London (2003-2004), returning to Queen Mary towards the end of 2004.

David held a post-doctoral fellowship at the MPI-FKF in Stuttgart, Germany, working with Michele Parrinello, in 2000 before moving to the ETHZ Swiss National Supercomputing Centre in Manno, Switzerland, in 2001.

Journal Article

Intermolecular rovibrational bound states of H2O-H2 dimer from a multiconfiguration time dependent Hartree approach

Ndengué, S. A., Scribano, Y., Benoit, D. M., Gatti, F., & Dawes, R. (2019). Intermolecular rovibrational bound states of H2O-H2 dimer from a multiconfiguration time dependent Hartree approach. Chemical Physics Letters, 715, 347-353. https://doi.org/10.1016/j.cplett.2018.11.035

Molecules in confinement in clusters, quantum solvents and matrices: general discussion

Bacic, Z., Benoit, D., Biczysko, M., Bowman, J., Bradforth, S., Burd, T., …Zehnacker-Rentien, A. (2018). Molecules in confinement in clusters, quantum solvents and matrices: general discussion. Faraday Discussions, 212, 569-601. https://doi.org/10.1039/c8fd90053a

Does cage quantum delocalisation influence the translation-rotational bound states of molecular hydrogen in clathrate hydrate?

Benoit, D. M., Lauvergnat, D., & Scribano, Y. (2018). Does cage quantum delocalisation influence the translation-rotational bound states of molecular hydrogen in clathrate hydrate?. Faraday Discussions, 212, 533-546. https://doi.org/10.1039/c8fd00087e

Conjugated, rod-like viologen oligomers: Correlation of oligomer length with conductivity and photoconductivity

Chen, L., Vivier, E., Eling, C. J., Babra, T. S., Bouillard, J. S. G., Adawi, A. M., …Greenland, B. W. (2018). Conjugated, rod-like viologen oligomers: Correlation of oligomer length with conductivity and photoconductivity. Synthetic Metals, 241, 31-38. https://doi.org/10.1016/j.synthmet.2018.03.019

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

Roggatz, C. C., Lorch, M., & Benoit, D. M. (2018). The influence of solvent representation on nuclear shielding calculations of protonation states of small biological molecules. Journal of chemical theory and computation : JCTC, 14(5), 2684-2695. https://doi.org/10.1021/acs.jctc.7b01020