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Chemical Dynamics and Kinetics

ORAL · K01 · ID: 48505

Presentations

  • Sub-ms translational and orientational dynamics of a freely moving single nanoprobe; theory and experiment

    ORAL

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    Publication: J. S. Beckwith and H. Yang, Sub-ms translational and orientational dynamics of a freely moving single nanoprobe, J. Phys. Chem B., In Peer Review.<br>J. S. Beckwith and H. Yang, Information Bounds in Determining the 3D Orientation of a Single Emitter or Scatterer Using Point-Detector-Based Division-of-Amplitude Polarimetry, J. Chem. Phys. 155, 144110 (2021)

    Presenters

    • Joseph S Beckwith

      Princeton University

    Authors

    • Joseph S Beckwith

      Princeton University

    • Haw Yang

      Princeton University

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  • Role of Physics in Environmental and Air Quality Research

    ORAL

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    Publication: 1. Rudra Pokherl, Janica Gordon Marc N Fiddler, Solomon Bililign (2021) "Determination of Emission Factors of Pollutants from Biomass Burning of African fuels in Laboratory Measurements, Journal of Geophysical Research-Atmosphere-In Press https://www.essoar.org/doi/abs/10.1002/essoar.10506259.1<br>2. Rudra Pokherl, Janica Gordon, Marc N. Fiddler, Solomon Bililign. Impact of Combustion Conditions on Physical and Morphological Properties of Biomass Burning Aerosol. Aerosol Science and Technology, 2021, 55(1), 80-91, doi: 10.1080/02786826.2020.1822512<br>https://doi.org/10.1080/02786826.2020.1822512<br>3. Damon Smith, Rudra Pokherl, Marc N. Fiddler, Solomon Bililign. Laboratory studies of fresh and aged biomass burning aerosols emitted from sub-Saharan Africa biomass fuels - PART 1: Optical properties. Atmos. Chem. Phys. 2020, 20(17), 10149-10168, doi: 10.5194/acp-20-10149-2020 <br>https://doi.org/10.5194/acp-20-10149-2020<br>4. Damon Smith, Marc N. Fiddler, Cui Tianqu, Rudra Pokherl, Jason D. Surratt, Solomon Bililign. Laboratory studies of fresh and aged biomass burning aerosols emitted from sub-Saharan Africa biomass fuels - PART II: Chemical properties and characterization. Atoms. Chem. Phys. 2020, 20(17), 10169-10191, doi: 10.5194/acp-20-10169-2020 https://doi.org/10.5194/acp-20-10169-2020<br><br>5. Emmanuel Sarpong, Damon Smith, Marc N. Fiddler, Solomon Bililign. Refractive Indices of Biomass Burning Aerosols Obtained from African Biomass Fuels using RDG Approximations. Atmosphere 2020, 11(1), 62; doi: 10.3390/atmos11010062 https://doi.org/10.3390/atmos11010062

    Presenters

    • Solomon Bililign

      North Carolina A&T State University

    Authors

    • Solomon Bililign

      North Carolina A&T State University

    • Marc N Fiddler

      North Carolina A&T State University

    • Rudra Pokhrel

      aCooperative Institute for Research in Environmental Sciences, University of Colorado, Boulder, CO 80309, USA

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  • The role of partial charges in data-driven analytics of gas adsorption simulations

    ORAL

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    Presenters

    • Binquan Luan

      IBM TJ Watson Research

    Authors

    • Binquan Luan

      IBM TJ Watson Research

    • Rodrigo N Ferreira

      IBM Research, Rio de Janeiro, RJ, Brazil, IBM Research - Brazil

    • Ronaldo Giro

      IBM Research, Rio de Janeiro, RJ, Brazil, IBM Research - Brazil

    • Tonia Elengikal

      IBM TJ Watson Research

    • Anshul Gupta

      IBM TJ Watson Research

    • Felipe L De Oliveira

      IBM Research - Brazil

    • Sizhe Liu

      IBM TJ Watson Research

    • Mathias B Steiner

      IBM Research, Rio de Janeiro, RJ, Brazil, IBM Research - Brazil

    • Thomas Peters

      Department of Computer Science & Engineering, University of Connecticut, Storrs, Connecticut 06269, U.S.A.

    • Amir Farmahini

      School of Chemical Engineering and Analytical Science, University of Manchester, Sackville Street, Manchester M13 9PL, United Kingdom

    • Joseph Manning

      School of Chemical Engineering and Analytical Science, University of Manchester, Sackville Street, Manchester M13 9PL, United Kingdom

    • Conor Cleeton

      School of Chemical Engineering and Analytical Science, University of Manchester, Sackville Street, Manchester M13 9PL, United Kingdom

    • Flor Siperstein

      School of Chemical Engineering and Analytical Science, University of Manchester, Sackville Street, Manchester M13 9PL, United Kingdom

    • Lev Sarkisov

      School of Chemical Engineering and Analytical Science, University of Manchester, Sackville Street, Manchester M13 9PL, United Kingdom

    • Breanndan O Conchuir

      IBM Research Europe, The Hartree Centre, Daresbury Laboratory, Warrington WA4 4AD, United Kingdom

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  • Anomalous broadening of water intramolecular bending mode in ice-Ih

    ORAL

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    Presenters

    • Alexander I Kolesnikov

      Oak Ridge National Lab

    Authors

    • Alexander I Kolesnikov

      Oak Ridge National Lab

    • Lawrence M Anovitz

      Oak Ridge National Lab

    • Yongqiang Cheng

      Oak Ridge National Laboratory, Oak Ridge National Lab

    • Andrey Podlesnyak

      Oak Ridge National Lab, Neutron Scattering Division, Oak Ridge National Laboratory

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  • Simulating quantum chemical dynamics on ion-trap quantum computers.

    ORAL

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    Publication: D. Saha, S. S. Iyengar, P. Richerme, J. M. Smith, A. Sabry, "Mapping quantum chemical dynamics problems to spin-lattice simulators", Journal of Chemical Theory and Computation, Accepted. In press. (2021)

    Presenters

    • Debadrita Saha

      Indiana University, Bloomington

    Authors

    • Debadrita Saha

      Indiana University, Bloomington

    • Srinivasan S Iyengar

      Indiana University , Bloomington

    • Philip Richerme

      Indiana University Bloomington, Indiana Univ - Bloomington

    • Amr Sabry

      Indiana University , Bloomington

    • Jeremy M Smith

      Indiana University , Bloomington

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  • Accurate detection of spherical objects in a complex background

    ORAL

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    Publication: U. Gasser and B. Zhou, "Accurate detection of spherical objects in a complex background", OpticsExpress, DOI: https://doi.org/10.1364/OE.434652 (2021).

    Presenters

    • Urs Gasser

      Paul Scherrer Institut, Paul Scherrer Institute

    Authors

    • Urs Gasser

      Paul Scherrer Institut, Paul Scherrer Institute

    • Boyang Zhou

      Paul Scherrer Institut, Paul Scherrer Institute

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  • Insights from density functional theory into the formation and rotation of an enantiospecific assembly of molecular raffle wheels

    ORAL

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    Publication: Accepted in Angewandte Chemie, Int. Ed.

    Presenters

    • Abhishek K Adak

      Jawaharlal Nehru Centre for Advanced Scientific Research

    Authors

    • Shobhana Narasimhan

      Jawaharlal Nehru Centre for Advanced Sci, Jawaharlal Nehru Centre for Advanced Scientific Research

    • Abhishek K Adak

      Jawaharlal Nehru Centre for Advanced Scientific Research

    • Dennis Meier

      Technical University of Munich

    • Peter Knecht

      Technical University of Munich

    • Joachim Reichert

      Technical University of Munich

    • Johannes V barth

      Technical University of Munich

    • Anthoula C Papageorgiou

      Technical University of Munich

    • Nithin Suryadevara

      Karlsruhe Institute of Technology

    • Kuppusamy S Kumar

      Karlsruhe Institute of Technology

    • Mario Ruben

      Karlsruhe Institute of Technology

    • Sourav Mondal

      Trinity College Dublin

    • Keitaro Eguchi

      Technical University of Munich

    • Matthias K Muntwiler

      Paul Scherrer Institut

    • Francesco Allegretti

      Technical university of Munich

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  • Mechanical and ferroelectric properties of orthorhombic flourinated polyethylene

    ORAL

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    Publication: [1] Carl M Frostenson, Vivekanand Shukla, Pär A.T. Olsson and Per Hyldgaard; https://arxiv.org/abs/2109.07393 (2021).<br>[2] PAT Olsson, E Schröder, P Hyldgaard, M Kroon, E Andreasson, E Bergvall; Polymer 121, 234-246, 14 July (2017).

    Presenters

    • Carl M Frostenson

      Chalmers University of Technology, chalmers

    Authors

    • Carl M Frostenson

      Chalmers University of Technology, chalmers

    • Vivekanand Shukla

      Chalmers Univ of Tech

    • Pär A. T. Olsson

      Lund University

    • Per Hyldgaard

      Chalmers Univ of Tech

    View abstract →