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, 11:00 AM – March 10, 2023, 11:12 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, 11:12 AM – March 10, 2023, 11:24 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, 11:24 AM – March 10, 2023, 11:36 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, 11:36 AM – March 10, 2023, 11:48 AM

  Presenters

  • Enes Suyabatmaz

    Emory University

  Authors

  • Enes Suyabatmaz

    Emory University

  • Raphael F Ribeiro

    Emory University

  View abstract →

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

  ORAL

  March 10, 2023, 11:48 AM – March 10, 2023, 12:00 PM

  Publication: [1] M. Repisky, et al., J. Chem. Theory Comput. (2015), 11, 980.<br>[2] M. Kadek, et al., Phys. Chem. Chem. Phys., (2015), 17, 22566.<br>[3] T. Moitra, et al., Submitted, (2022).<br>[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, 12:00 PM – March 10, 2023, 12:12 PM

  Publication: 1. R. Ahmed and A. K. Manna, J. Phys. Chem. C 126, 423 (2022).<br>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, 12:12 PM – March 10, 2023, 12:24 PM

  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

  View abstract →

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

  ORAL

  March 10, 2023, 12:24 PM – March 10, 2023, 12:36 PM

  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, 12:36 PM – March 10, 2023, 12:48 PM

  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, 12:48 PM – March 10, 2023, 1:00 PM

  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

  View abstract →

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

  ORAL

  March 10, 2023, 1:00 PM – March 10, 2023, 1:12 PM

  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, 1:12 PM – March 10, 2023, 1:24 PM

  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). <br><br>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). <br><br>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.<br><br>

  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, 1:24 PM – March 10, 2023, 1:36 PM

  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, 1:36 PM – March 10, 2023, 1:48 PM

  Publication: [1] Naaman R. et al. Nat. Rev. Chem. 2019, 3, 250-260<br>[2] Fay, T. P. J. Phys. Chem. Lett. 2021, 12, 1407–1412<br>[3] Chiesa, A. et al. J. Phys. Chem. Lett. 2021,12, 6341–6347<br>[4] Fay, T.P. et al. Nano Lett. 2021, 21 (15), 6696-6702<br>[5] Janitz, E. et al. J. Mater. Chem. C., 2022, 10, 13533<br>[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 →