V: Spectroscopy, Structure and Dynamics II

Presentations

• Defect and dopant ab-initio Simulation Package (DASP)

  ORAL

  March 6, 2024, 5:30 AM – March 6, 2024, 5:42 AM

  Presenters

  • Shiyou Chen

    • Fudan University
    • Fudan Univ

  Authors

  • Shiyou Chen

    • Fudan University
    • Fudan Univ

  View abstract →

• Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical Dynamics

  ORAL

  March 6, 2024, 5:42 AM – March 6, 2024, 5:54 AM

  Publication: https://doi.org/10.1021/acs.jpca.3c04607

  Presenters

  • Eriks Kletnieks

    • Ecole polytechnique federale de Lausanne

  Authors

  • Eriks Kletnieks

    • Ecole polytechnique federale de Lausanne

  • Yannick Calvino Alonso

    • EPFL

  • Jiri Vanicek

    • Ecole Polytechnique Federale de Lausanne

  View abstract →

• High-order geometric integrators for the local cubic variational Gaussian wavepacket dynamics

  ORAL

  March 6, 2024, 5:54 AM – March 6, 2024, 6:06 AM

  Publication: Roya Moghaddasi Fereidani and Jiří JL Vaníček, arXiv:2310.05633 (2023). (https://arxiv.org/pdf/2310.05633.pdf)

  Presenters

  • Roya Moghaddasi Fereidani

    • École polytechnique fédérale de Lausanne (EPFL)

  Authors

  • Roya Moghaddasi Fereidani

    • École polytechnique fédérale de Lausanne (EPFL)

  • Jiri Vanicek

    • Ecole Polytechnique Federale de Lausanne

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• Machine learning predicted anharmonic frequencies and their effect in thermochemistry

  ORAL

  March 6, 2024, 6:06 AM – March 6, 2024, 6:18 AM

  Publication: Machine learning predicted anharmonic frequencies and their effect in thermochemistry

  Presenters

  • Jamoliddin Khanifaev

    • Friedrich Schiller University, Jena

  Authors

  • Jamoliddin Khanifaev

    • Friedrich Schiller University, Jena

  • Eva Perlt

    • Friedrich Schiller University Jena

  • Tim Schrader

    • Friedrich Schiller University Jena

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• Dynamics of liquid bridges between patterned surfaces

  ORAL

  March 6, 2024, 6:18 AM – March 6, 2024, 6:30 AM

  Publication: Dynamics of liquid bridges between patterned surfaces (manuscript in preparation).

  Presenters

  • Paulo I Teixeira

    • Polytechnic Institute of Lisbon and University of Lisbon

  Authors

  • Paulo I Teixeira

    • Polytechnic Institute of Lisbon and University of Lisbon

  • Rodirgo V Coelho

    • Lisbon University

  • Margarida S Rodrigues

    • Lisbon University

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• The role of Hydrogen Bonding in sunscreen performance

  ORAL

  March 6, 2024, 6:30 AM – March 6, 2024, 6:42 AM

  Publication: N. d. N. Rodrigues, J. M. Woolley, K. M. Krokidi, M. A. Tesa-Serrate, M. A. P. Turner, N. D. M. Hine and V. G. Stavros, Phys. Chem. Chem. Phys., 2021, 23, 23242-23255.
  E. L. Holt, K. M. Krokidi, M. A. P. Turner, P. Mishra, T. S. Zwier, N. d. N. Rodrigues, and V. G. Stavros, Phys. Chem. Chem. Phys., 2020, 22, 15509-15519.
  N. d. N. Rodrigues, N. C. Cole-Filipiak, M. A. P. Turner, K. M. Krokidi, G. L. Thorton, G. W. Richings, N. D. M. Hine, and V. G. Stavros, Chem. Phys., 2018, 515(14), 596-602.
  N. d. N. Rodrigues, N. C. Cole-Filipiak, M. D. Horbury, M. Staniforth, T. N. V. Karsili, Y. Peperstraete, and V. G. Stavros, J. Photochem. Photobiol A, 2018, 353(15), 376-384

  Presenters

  • Natércia Rodrigues

    • Instituto Superior Técnico

  Authors

  • Natércia Rodrigues

    • Instituto Superior Técnico

  • Vasilios G Stavros

    • University of Warwick

  • Timothy S Zwier

    • Sandia National Laboratories

  • Nicholas D Hine

    • University of Warwick

  • Piyush Mishra

    • Purdue University

  • Neil C Cole-Filipiak

    • Sandia National Laboratories

  • Matthew A Turner

    • University of Warwick

  • Maria A Tesa-Serrate

    • Edinburgh Instruments

  • Konstantina M Krokidi

    • University of Warwick

  • Jack M Woolley

    • University of Warwick

  • Georgia L Thornton

    • University of Warwick

  • Emily L Holt

    • University of Warwick

  • Gareth W Richings

    • University of Warwick

  • Tolga N Karsili

    • University of Louisiana

  • Michael D Horbury

    • University of Warwick

  • Michael Staniforth

    • University of Warwick

  • Yoann Peperstraete

    • University of Warwick

  View abstract →

• On the Temporal Response of Instantaneous Two-Photon Processes

  ORAL

  March 6, 2024, 6:42 AM – March 6, 2024, 6:54 AM

  Presenters

  • Debabrata Goswami

    • Indian Inst of Tech-Kanpur

  Authors

  • Debabrata Goswami

    • Indian Inst of Tech-Kanpur

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• Photocatalytic Degradation of Microplastics over Ilmenite-Graphene Oxide Nanohybrid

  ORAL

  March 6, 2024, 6:54 AM – March 6, 2024, 7:06 AM

  Presenters

  • Janitha S Dissanayake

    • Department of Physics, University of Colombo

  Authors

  • Janitha S Dissanayake

    • Department of Physics, University of Colombo

  • K. R. Jaliya Manuda

    • Department of Physics, University of Colombo

  • Dilushan R Jayasundara

    • Department of Physics, University of Colombo

  View abstract →

• Efficient Removal of Microplastics Using Magnetic-Reduced Graphene Oxide (MrGO) as an Adsorbent Material

  ORAL

  March 6, 2024, 7:06 AM – March 6, 2024, 7:18 AM

  Presenters

  • M. W. Isuru Chanilka

    • Department of Physics, University of Colombo

  Authors

  • M. W. Isuru Chanilka

    • Department of Physics, University of Colombo

  • J. A. T. Sandupama

    • Department of Physics, University of Colombo

  • K. R. Jaliya Manuda

    • Department of Physics, University of Colombo

  • Dilushan R Jayasundara

    • Department of Physics, University of Colombo

  View abstract →