Daniel Hollas
Affiliations: | 2021- | Chemistry | University of Bristol, Bristol, England, United Kingdom |
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| Janoš J, Figueira Nunes JP, Hollas D, et al. (2024) Predicting the photodynamics of cyclobutanone triggered by a laser pulse at 200 nm and its MeV-UED signals-A trajectory surface hopping and XMS-CASPT2 perspective. The Journal of Chemical Physics. 160 |
| Prlj A, Hollas D, Curchod BFE. (2023) Deciphering the Influence of Ground-State Distributions on the Calculation of Photolysis Observables. The Journal of Physical Chemistry. A |
| Lassmann Y, Hollas D, Curchod BFE. (2022) Extending the Applicability of the Multiple-Spawning Framework for Nonadiabatic Molecular Dynamics. The Journal of Physical Chemistry Letters. 13: 12011-12018 |
| Prlj A, Marsili E, Hutton L, et al. (2021) Calculating Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds. Acs Earth & Space Chemistry. 6: 207-217 |
| Fabregat R, Fabrizio A, Meyer B, et al. (2020) Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry. Journal of Chemical Theory and Computation |
| Tran T, Prlj A, Lin KH, et al. (2019) Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTB. Physical Chemistry Chemical Physics : Pccp |
| Suchan J, Hollas D, Curchod BFE, et al. (2018) On the importance of initial conditions for excited-state dynamics. Faraday Discussions. 212: 307-330 |
| Hollas D, Šištík L, Hohenstein EG, et al. (2017) Non-Adiabatic Ab Initio Molecular Dynamics with Floating Occupation Molecular Orbitals CASCI method. Journal of Chemical Theory and Computation |
| Hollas D, Muchová E, Slavíček P. (2016) Modeling Liquid Photoemission Spectra: Path-Integral Molecular Dynamics Combined with Tuned Range-Separated Hybrid Functionals. Journal of Chemical Theory and Computation |
| Svoboda O, Hollas D, Ončák M, et al. (2013) Reaction selectivity in an ionized water dimer: nonadiabatic ab initio dynamics simulations. Physical Chemistry Chemical Physics : Pccp. 15: 11531-42 |