Chemical Dynamics and Kinetics
ORAL · K01 · ID: 48505
Presentations
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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.
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
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Joseph S Beckwith
- Princeton University
Authors
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Joseph S Beckwith
- Princeton University
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Haw Yang
- Princeton University
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Evaluating Homogeneous Catalysts for De-hydrogenation of Liquid Organic Hydrogen Carriers
ORAL
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Presenters
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Gaurav Vishwakarma
- State Univ of NY - Buffalo
Authors
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Gaurav Vishwakarma
- State Univ of NY - Buffalo
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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
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
https://doi.org/10.1080/02786826.2020.1822512
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
https://doi.org/10.5194/acp-20-10149-2020
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
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/atmos11010062Presenters
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Solomon Bililign
- North Carolina A&T State University
Authors
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Solomon Bililign
- North Carolina A&T State University
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Marc N Fiddler
- North Carolina A&T State University
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Rudra Pokhrel
- aCooperative Institute for Research in Environmental Sciences, University of Colorado, Boulder, CO 80309, USA
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Kinetic and equilibrium competition of gases during mixture adsorption on planar surfaces
ORAL
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Presenters
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Andrew Torres
- University of Denver
Authors
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Andrew Torres
- University of Denver
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Aaron Fultineer
- University of Denver
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M. Mercedes Calbi
- University of Denver
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The role of partial charges in data-driven analytics of gas adsorption simulations
ORAL
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Presenters
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Binquan Luan
- IBM TJ Watson Research
Authors
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Binquan Luan
- IBM TJ Watson Research
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Rodrigo N Ferreira
- IBM Research, Rio de Janeiro, RJ, Brazil
- IBM Research - Brazil
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Ronaldo Giro
- IBM Research, Rio de Janeiro, RJ, Brazil
- IBM Research - Brazil
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Tonia Elengikal
- IBM TJ Watson Research
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Anshul Gupta
- IBM TJ Watson Research
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Felipe L De Oliveira
- IBM Research - Brazil
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Sizhe Liu
- IBM TJ Watson Research
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Mathias B Steiner
- IBM Research, Rio de Janeiro, RJ, Brazil
- IBM Research - Brazil
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Thomas Peters
- Department of Computer Science & Engineering, University of Connecticut, Storrs, Connecticut 06269, U.S.A.
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Amir Farmahini
- School of Chemical Engineering and Analytical Science, University of Manchester, Sackville Street, Manchester M13 9PL, United Kingdom
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Joseph Manning
- School of Chemical Engineering and Analytical Science, University of Manchester, Sackville Street, Manchester M13 9PL, United Kingdom
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Conor Cleeton
- School of Chemical Engineering and Analytical Science, University of Manchester, Sackville Street, Manchester M13 9PL, United Kingdom
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Flor Siperstein
- School of Chemical Engineering and Analytical Science, University of Manchester, Sackville Street, Manchester M13 9PL, United Kingdom
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Lev Sarkisov
- School of Chemical Engineering and Analytical Science, University of Manchester, Sackville Street, Manchester M13 9PL, United Kingdom
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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
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Alexander I Kolesnikov
- Oak Ridge National Lab
Authors
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Alexander I Kolesnikov
- Oak Ridge National Lab
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Lawrence M Anovitz
- Oak Ridge National Lab
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Yongqiang Cheng
- Oak Ridge National Laboratory
- Oak Ridge National Lab
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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
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Debadrita Saha
- Indiana University, Bloomington
Authors
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Debadrita Saha
- Indiana University, Bloomington
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Srinivasan S Iyengar
- Indiana University , Bloomington
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Philip Richerme
- Indiana University Bloomington
- Indiana Univ - Bloomington
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Amr Sabry
- Indiana University , Bloomington
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Jeremy M Smith
- Indiana University , Bloomington
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Brownian bridge method for stochastic chemical processes – An approximation method under diffusion limit
ORAL
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Presenters
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Shiyan WANG
- Purdue University
Authors
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Shiyan WANG
- Purdue University
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Anirudh Venkatesh
- Purdue University
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Doraiswami Ramkrishna
- Purdue University
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Vivek Narsimhan
- Purdue University
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New concept to improve salinity energy harvesting by capacitive layers.
ORAL
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Publication: New concept to improve salinity energy harvesting by capacitive layers (planned paper)
Presenters
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Youcef Brahmi
- ESPCI Paris
Authors
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Youcef Brahmi
- ESPCI Paris
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Annie Colin
- ESPCI
- ESPCI Paris
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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
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Urs Gasser
- Paul Scherrer Institut
- Paul Scherrer Institute
Authors
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Urs Gasser
- Paul Scherrer Institut
- Paul Scherrer Institute
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Boyang Zhou
- Paul Scherrer Institut
- Paul Scherrer Institute
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Measurements and characterization of the dynamics of tracer particles in an actin network
ORAL
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Publication: J. Chem. Phys. 154, 144901 (2021); https://doi.org/10.1063/5.0045278
Presenters
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Golan Bel
- Ben-Gurion University of the Negev
Authors
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Golan Bel
- Ben-Gurion University of the Negev
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Maayan Levin
- Tel Aviv University
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Yael Roichman
- Tel Aviv University
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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
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Abhishek K Adak
- Jawaharlal Nehru Centre for Advanced Scientific Research
Authors
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Shobhana Narasimhan
- Jawaharlal Nehru Centre for Advanced Sci
- Jawaharlal Nehru Centre for Advanced Scientific Research
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Abhishek K Adak
- Jawaharlal Nehru Centre for Advanced Scientific Research
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Dennis Meier
- Technical University of Munich
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Peter Knecht
- Technical University of Munich
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Joachim Reichert
- Technical University of Munich
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Johannes V barth
- Technical University of Munich
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Anthoula C Papageorgiou
- Technical University of Munich
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Nithin Suryadevara
- Karlsruhe Institute of Technology
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Kuppusamy S Kumar
- Karlsruhe Institute of Technology
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Mario Ruben
- Karlsruhe Institute of Technology
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Sourav Mondal
- Trinity College Dublin
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Keitaro Eguchi
- Technical University of Munich
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Matthias K Muntwiler
- Paul Scherrer Institut
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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).
[2] PAT Olsson, E Schröder, P Hyldgaard, M Kroon, E Andreasson, E Bergvall; Polymer 121, 234-246, 14 July (2017).Presenters
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Carl M Frostenson
- Chalmers University of Technology
- chalmers
Authors
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Carl M Frostenson
- Chalmers University of Technology
- chalmers
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Vivekanand Shukla
- Chalmers Univ of Tech
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Pär A. T. Olsson
- Lund University
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Per Hyldgaard
- Chalmers Univ of Tech
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