Structure and Dynamics in Chemical Physics

Presentations

• Synchrotron X-ray spectroscopy for the local structure analysis of heteroatoms in the zeolite

  ORAL

  March 10, 2023, 8:00 AM – March 10, 2023, 8:12 AM

  Presenters

  • Kakeru Ninomiya

    • Tohoku University

  Authors

  • Kakeru Ninomiya

    • Tohoku University

  • Maiko Nishibori

    • Tohoku University

  • Ryota Osuga

    • Tohoku University

  • Ginpei Tanaka

    • Tohoku University

  • Mizuho Yabushita

    • Tohoku University

  • Kiyoshi Kanie

    • Tohoku University

  • Atsushi Muramatsu

    • Tohoku University

  View abstract →

• Computational Macroscopic QED for Vibrational Polaritons in Infrared Nanocavities

  ORAL

  March 10, 2023, 8:12 AM – March 10, 2023, 8:24 AM

  Presenters

  • Athul S Sambasivan Rema

    • Universidad de Santiago de Chile

  Authors

  • Athul S Sambasivan Rema

    • Universidad de Santiago de Chile

  • Felipe F Herrera

    • Univ de Santiago de Chile
    • Universidad de Santiago de Chile

  View abstract →

• Water decomposition equilibrium under vibrational strong and ultrastrong coupling

  ORAL

  March 10, 2023, 8:24 AM – March 10, 2023, 8:36 AM

  Presenters

  • Kaihong Sun

    • Emory University

  Authors

  • Kaihong Sun

    • Emory University

  • Raphael F Ribeiro

    • Emory University

  View abstract →

• Mesoscopic characterization of vibrational polariton transport phenomena

  ORAL

  March 10, 2023, 8:36 AM – March 10, 2023, 8:48 AM

  Presenters

  • Enes Suyabatmaz

    • Emory University

  Authors

  • Enes Suyabatmaz

    • Emory University

  • Raphael F Ribeiro

    • Emory University

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• Relativistic real-time time dependent density functional theory for valence and core level attosecond transient absorption spectroscopy

  ORAL

  March 10, 2023, 8:48 AM – March 10, 2023, 9:00 AM

  Publication: [1] M. Repisky, et al., J. Chem. Theory Comput. (2015), 11, 980.
  [2] M. Kadek, et al., Phys. Chem. Chem. Phys., (2015), 17, 22566.
  [3] T. Moitra, et al., Submitted, (2022).
  [4] S. Knecht, et al., J. Chem. Phys. (2022), 157, 114106.

  Presenters

  • Torsha Moitra

    • UiT, The Arctic University of Norway

  Authors

  • Torsha Moitra

    • UiT, The Arctic University of Norway

  • Lukas Konecny

    • UiT - The Arctic University of Norway

  • Marius Kadek

    • Northeastern University

  • Angel Rubio

    • Max Planck Institute for Structure and Dynamics of Matter
    • Max Planck Institute for the Structure &
    • Max Planck Institute for the Structure & Dynamics of Matter
    • Max Planck Institute for the Structure and Dynamics of Matter, Center for Free Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, Germany
    • Max Planck Institute for the Structure &Dynamics of Matter; Center for Computational Quantum Physics (CCQ), Flatiron Institute
    • 1. Max Planck Institute for the Structure and Dynamics of Matter 2. Center for Computational Quantum Physics (CCQ), Flatiron Institute, 162 Fifth Avenue, New York NY

  • Michal Repisky

    • UiT, The Arctic University of Norway

  View abstract →

• Understanding High Fluorescence Quantum Yield and Simultaneous Large Stokes Shift in Push-Pull Molecular Dyads in Polar Solvent

  ORAL

  March 10, 2023, 9:00 AM – March 10, 2023, 9:12 AM

  Publication: 1. R. Ahmed and A. K. Manna, J. Phys. Chem. C 126, 423 (2022).
  2. R. Ahmed and A. K. Manna, J. Phys. Chem. A 126, 4221 (2022).

  Presenters

  • Raka Ahmed

    • Indian Institute of Technology Tirupati

  Authors

  • Raka Ahmed

    • Indian Institute of Technology Tirupati

  • Arun K Manna

    • Indian Institute Of Technology Tirupati

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• N-Heterocyclic Carbene-based Low-Dimensional Metal-Organic Frameworks with Metal-Dependent Electronic Properties

  ORAL

  March 10, 2023, 9:12 AM – March 10, 2023, 9:24 AM

  Presenters

  • Boyu Qie

    • University of California, Berkeley

  Authors

  • Boyu Qie

    • University of California, Berkeley

  • Ziyi Wang

    • University of California, Berkeley

  • Jiaming Lu

    • UC Berkeley

  • Peter H Jacobse

    • University of California, Berkeley

  • Michael F Crommie

    • University of California, Berkeley

  • Felix R Fischer

    • UC Berkeley
    • Chemistry Department, UC Berkeley and Lawrence Berkeley National Lab

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• Isotope effects in the electronic spectra of ammonia using ab initio semiclassical dynamics

  ORAL

  March 10, 2023, 9:24 AM – March 10, 2023, 9:36 AM

  Presenters

  • Eriks Kletnieks

    • Ecole polytechnique federale de Lausanne

  Authors

  • Eriks Kletnieks

    • Ecole polytechnique federale de Lausanne

  • Yannick C Alonso

    • Ecole polytechnique federale de Lausanne

  • Jiri Vanicek

    • Ecole Polytechnique Federale de Lausanne

  View abstract →

• Role of Dispersion in the Molecular Geometries of Mn(III) Complexes

  ORAL

  March 10, 2023, 9:36 AM – March 10, 2023, 9:48 AM

  Presenters

  • SABYASACHI ROY CHOWDHURY

    • University of South Dakota

  Authors

  • SABYASACHI ROY CHOWDHURY

    • University of South Dakota

  • Ngan Nguyen

    • University of South Dakota

  • Bess Vlaisavljevich

    • University of South Dakota

  View abstract →

• Physical and Chemical Modifications of Nanomaterial-Chiral Molecule Interface for Enhanced Chirality-Transfer

  ORAL

  March 10, 2023, 9:48 AM – March 10, 2023, 10:00 AM

  Presenters

  • Aaron Forde

    • LANL

  Authors

  • Aaron Forde

    • LANL

  • Amanda J Neukirch

    • Los Alamos National Laboratory

  • Sergei Tretiak

    • Los Alamos National Laboratory
    • Los Alamos National Lab

  • Amanda C Evans

    • LANL

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• Multiphase modelling of the reduction of quartz in a silicon carbide reactor

  ORAL

  March 10, 2023, 10:00 AM – March 10, 2023, 10:12 AM

  Presenters

  • Brady Metherall

    • University of Oxford

  Authors

  • Brady Metherall

    • University of Oxford

  View abstract →

• The effect of methylation on the excited state dynamics of 2-thiouracil

  ORAL

  March 10, 2023, 10:12 AM – March 10, 2023, 10:24 AM

  Publication: H. Yu, J. A. Sanchez-Rodriguez, M. Pollum, C. E. Crespo-Hernández, S. Mai, P. Marquetand, L. González, S. Ullrich: Internal conversion and intersystem crossing pathways in UV excited, isolated uracils and their implications in prebiotic chemistry, Phys. Chem. Chem. Phys. 18, 20168 (2016).
  
  J. A. Sánchez-Rodríguez, A. Mohamadzade, S. Mai, B. Ashwood, M. Pollum, P. Marquetand, L. González, C. E. Crespo-Hernández, S. Ullrich: 2-Thiouracil intersystem crossing photodynamics studied by wavelength-dependent photoelectron and transient absorption spectroscopies, Phys. Chem. Chem. Phys. 19, 19756 (2017).
  
  S. Ullrich, Y. Qu, A. Mohamadzade, S. Shrestha: The Effect of Methylation on the Triplet State Dynamics of 2-Thiouracil: Time-resolved Photoelectron Spectroscopy of 2-Thiothymine. J. Phys. Chem. A 2022, accepted.
  
  

  Presenters

  • Susanne Ullrich

    • University of Georgia

  Authors

  • Susanne Ullrich

    • University of Georgia

  • Yingqi Qu

    • University of Georgia, Department of Physics and Astronomy

  • Sarita Shresta

    • University of Georgia, Department of Physics and Astronomy

  • Abed Mohamadzade

    • University of Georgia, Department of Physics and Astronomy

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• Exploring the role of chemical reactions in the selectivity of tyrosine kinase inhibitors

  ORAL

  March 10, 2023, 10:24 AM – March 10, 2023, 10:36 AM

  Publication: https://pubs-acs-org.libproxy2.usc.edu/doi/pdf/10.1021/jacs.2c07307

  Presenters

  • Mojgan Asadi

    • University of Southern California

  Authors

  • Mojgan Asadi

    • University of Southern California

  • Wenjun Xie

    • University Of Southern California

  • Arieh Warshel

    • University of Southern California

  View abstract →

• Sensing Chiral-Induced Spin Selectivity in Photogenerated Radical-Pairs with NV Centers via Lee-Goldburg Decoupling

  ORAL

  March 10, 2023, 10:36 AM – March 10, 2023, 10:48 AM

  Publication: [1] Naaman R. et al. Nat. Rev. Chem. 2019, 3, 250-260
  [2] Fay, T. P. J. Phys. Chem. Lett. 2021, 12, 1407–1412
  [3] Chiesa, A. et al. J. Phys. Chem. Lett. 2021,12, 6341–6347
  [4] Fay, T.P. et al. Nano Lett. 2021, 21 (15), 6696-6702
  [5] Janitz, E. et al. J. Mater. Chem. C., 2022, 10, 13533
  [6] M. Lee and W. I. Goldberg, Phys. Rev. A, 1965, 140, 1261

  Presenters

  • Laura A Völker

    • ETH Zurich

  Authors

  • Laura A Völker

    • ETH Zurich

  • Konstantin Herb

    • ETH Zurich

  • Christian L Degen

    • ETH Zurich

  • John M Abendroth

    • ETH Zurich

  View abstract →