Projects per year
Personal profile
Research interests
The main pillars of our scientific research are the development and the application of theoretical methods for studying the dynamics of molecules in their electronically excited states.
Our research focuses on the development and the applications of theoretical methods for simulating the dynamics of molecules beyond the Born-Oppenheimer approximation, i.e., when the coupling between electronic and nuclear motion cannot be neglected and leads to the appearance of the so-called nonadiabatic effects. The breakdown of the Born-Oppenheimer approximation is common for photoinduced and electron-transfer processes, e.g. photochemical reactions, photosynthesis, solar cells, retinal isomerization in the primary step of vision, chemiluminescence, or in atmospheric chemistry, and leads to fascinating phenomena. In fact, nonadiabatic effects are ubiquitous as soon as a given chemical process requires more than one electronic state for its description, but their theoretical description remains an important and arduous challenge due to the necessity of revisiting several critical approximations commonly employed in theoretical chemistry.
Keywords
- Computational and Theoretical Chemistry
- Photochemistry
- Quantum dynamics
- Nonadiabatic Dynamics
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Collaborations and top research areas from the last five years
Projects
- 4 Active
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Unpicking the influence of structure and solvent on the photochemistry of deprotonated keto acids
Curchod, B. F. E. (Principal Investigator)
1/05/24 → 30/04/27
Project: Research
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OAFI - Basile Curchod - EPSRC Programme Grant - UCL lead: A Universal Approach to Using Quantum Dynamics for Real World Problems: Applying Coherent States for MolecularDynamics Simulations (COSMOS)
Curchod, B. F. E. (Principal Investigator)
1/10/23 → 30/09/29
Project: Research
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SINDAM: 8084 - SINDAM - ERC 803718 - Basile Curchod
Curchod, B. F. E. (Principal Investigator)
1/03/22 → 31/12/24
Project: Research
Research output
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A Theoretical Perspective on the Photochemistry of Boron-Nitrogen Lewis Adducts
Marsili, E. & Curchod, B. F. E., 15 Feb 2024, In: The journal of physical chemistry. A. 128, 6, p. 996-1008 13 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open Access -
AtmoSpec–A Tool to Calculate Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds
Hollas, D. & Curchod, B. F. E., 18 Sept 2024, (E-pub ahead of print) In: The Journal of Physical Chemistry A. 128, 39, p. 8580-8590 11 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open Access -
Competing non-adiabatic relaxation pathways for near-UV excited ortho-nitrophenol in aqueous solution
Greene, H. J. M., Ghosh, D., Sazanovich, I. V., Phelps, R. A., Curchod, B. F. E. & Orr-Ewing, A. J., 12 Sept 2024, In: Journal of Physical Chemistry Letters. 15, 36, p. 9153-9159 7 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open Access
Datasets
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Monitoring the evolution of relative product populations at early times during a photochemical reaction
Figueira Nunes, J. P. (Creator), Hoffmann, M. (Creator), Attar, A. (Creator), Shen, X. (Creator), Luo, D. (Creator), Muvva, S. B. (Creator), Rudenko, A. (Creator), Venkatachalam, A. (Creator), Boll, R. (Creator), Wang, X. (Creator), Xiong, Y. (Creator), Saha, S. K. (Creator), Borne, K. (Creator), Bhattacharyya, S. (Creator), Wilkin, K. (Creator), Hansen, C. (Creator), Yang, J. (Creator), Forbes, R. (Creator), Ibele, L. M. (Creator), Rouzee, A. (Creator), Centurion, M. (Creator), Lin, M.-F. (Creator), Goff, N. (Creator), Weathersby, S. (Creator), Erk, B. (Creator), Wolf, T. (Creator), Pathak, S. (Creator), Ware, M. (Creator), Reid, A. (Creator), Ingle, R. (Creator), Ashfold, M. (Creator), Holland, D. M. (Creator), Rolles, D. (Creator) & Curchod, B. (Creator), Dryad, 3 May 2023
DOI: 10.5061/dryad.nzs7h44wm, http://datadryad.org/stash/dataset/doi:10.5061/dryad.nzs7h44wm and one more link, https://zenodo.org/record/7896302 (show fewer)
Dataset
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UED and trajectory dataset – photochemistry of thiophenone
Curchod, B. (Creator), Figueira Nunes, J. P. (Creator), Rolles, D. (Creator) & Ashfold, M. (Creator), Zenodo, 2023
DOI: 10.5281/zenodo.10045070, https://zenodo.org10045070
Dataset
Prizes
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2022 PCCP Emerging Investigator Lectureship
Curchod, B. F. E. (Recipient), 19 Jul 2022
Prize: Prizes, Medals, Awards and Grants
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2023 Journal of Physical Chemistry A and PHYS Division Lectureship Award
Curchod, B. F. E. (Recipient), 2023
Prize: Prizes, Medals, Awards and Grants
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