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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)

Project Details

StatusActive
Effective start/end date1/10/23 → 30/09/29

Research Groups and Themes

  • Physical & Theoretical
  • Organic & Biological

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  • 15 Article (Academic Journal)
  • 1 Editorial (Academic Journal)
  • 1 Review article (Academic Journal)

  • A pictorial (and hopefully pedagogical) discussion on the Born-Oppenheimer approximation

    Agostini, F. & Curchod, B. F. E., 1 Apr 2026, In: Foundations of Chemistry. 28, 1, p. 89-109 21 p.

    Research output: Contribution to journal › Article (Academic Journal) › peer-review

    Open Access

  • Best practices for nonadiabatic molecular dynamics simulations [Article v1.0]

    Prlj, A., Taylor, J. T., Janoš, J., Lognon, E., Hollas, D., Slavíček, P., Agostini, F. & Curchod, B. F. E., 22 Jan 2026, In: Living Journal of Computational Molecular Science. 7, 1, 71 p., 4157.

    Research output: Contribution to journal › Article (Academic Journal) › peer-review

    Open Access

  • Perspective on a challenge: Predicting the photochemistry of cyclobutanone

    Janoš, J., List, N. H., Orr-Ewing, A. J., Suchan, J., Barbatti, M., Bennett, O., Brady, M., Carmona-García, J., Crespo-Otero, R., Eng, J., Fajen, O. J., Garavelli, M., Gómez, S., Green, A. E., Hernández, F. J., Hollas, D., Hutton, L., Ibele, L. M., Kirrander, A. & Lan, Z. & 20 others, Lassmann, Y., Lawrence, J. E., Levine, B. G., Makhov, D. V., Mannouch, J. R., Miao, X., Mitrić, R., Parker, S. M., Penfold, T. J., Peng, J., Richardson, J. O., Shalashilin, D., Slavíček, P., Spinlove, K. E., Vindel-Zandbergen, P., Agostini, F., Bonella, S., Martínez, T. J., Worth, G. A. & Curchod, B. F. E., 14 Jul 2026, In: The Journal of Chemical Physics. 165, 2, 21 p., 020902.

    Research output: Contribution to journal › Article (Academic Journal) › peer-review

    Open Access
    2 Citations (Scopus)
View all 17 research outputs