Dynamics and Kinetics in Chemical Physics
ORAL · Y18 · ID: 381787
Presentations
-
Predicting second virial coefficients: a Gaussian process regression approach
ORAL
–
Presenters
-
Miruna Cretu
- Imperial College London
Authors
-
Miruna Cretu
- Imperial College London
-
Jesús Pérez-Ríos
- Molecular Physics, Fritz Haber Institute of the Max Planck Society
- Fritz-Haber Institute
- Molecular Physics, Fritz Haber Institute
-
-
Optimal inference of molecular interaction from live-cell FRET imaging
ORAL
–
Presenters
-
Keita Kamino
- Yale University
Authors
-
Keita Kamino
- Yale University
-
Kazuhiro Aoki
- Exploratory Research Center on Life and Living Systems (ExCELLS)/National Institute for Basic Biology, National Institutes of Natural Sciences
-
Thierry Emonet
- Yale University
-
-
Feasibility Study of SSTO Programs Using Thermodynamic Properties
ORAL
–
Presenters
-
Conor McGibboney
- Southeastern Louisiana University
Authors
-
Conor McGibboney
- Southeastern Louisiana University
-
Eric C. Booth
- Southeastern Louisiana University
-
-
Probing the Water H-Bonding Network in Superconcentrated Aqueous Electrolytes with 2DIR Spectroscopy
ORAL
–
Presenters
-
Nicholas Lewis
- University of Chicago
Authors
-
Nicholas Lewis
- University of Chicago
-
Bogdan Dereka
- University of Chicago
-
Andrei Tokmakoff
- University of Chicago
-
-
Constructive Quantum Interference in a Photo-Chemical Reaction of BEC
ORAL
–
Presenters
-
Sumit Suresh Kale
- Department of Chemistry, Purdue University
Authors
-
Sumit Suresh Kale
- Department of Chemistry, Purdue University
-
Sabre Kais
- Purdue University
- Department of Chemistry and Purdue Quantum Science and Engineering Institute, Purdue University
- Department of Chemistry, Department of Physics and Astronomy, and Purdue Quantum Science and Engineering Institute, Purdue University
- Department of Chemistry, Purdue University
-
-
Kinetics of the reactions of BrHg radical with NO<sub>2</sub> and O<sub>3</sub>
ORAL
–
Presenters
-
Rongrong Wu
- Mississippi State Univ
Authors
-
Rongrong Wu
- Mississippi State Univ
-
Chuji Wang
- Mississippi State Univ
-
Theodore S Dibble
- SUNY ESF
-
-
Ultrafast two-dimensional infrared (2DIR) spectroscopy in dense gases and supercritical fluids: Rotational and vibrational energy relaxation, critical slowing, and the onset of liquid character
ORAL
–
Presenters
-
Matthew Rotondaro
- Department of Chemistry and the Photonics Center, Boston University
Authors
-
Matthew Rotondaro
- Department of Chemistry and the Photonics Center, Boston University
-
Shyamsunder Erramilli
- Department of Physics and the Photonics Center, Boston University
- Boston University
- Department of Physics, Boston University
-
Lawrence Ziegler
- Department of Chemistry and the Photonics Center, Boston University
- Department of Chemistry, Boston University
-
-
Enhancing the performance of cobalt porphyrin-based electrocatalysts for CO<sub>2</sub> reduction
ORAL
–
Presenters
-
Tanglaw Roman
- School of Physics, Univ of Sydney
Authors
-
Tanglaw Roman
- School of Physics, Univ of Sydney
-
Oliver Conquest
- School of Physics, Univ of Sydney
-
Aleksei Marianov
- School of Engineering, Macquarie University
-
Yijiao Jiang
- School of Engineering, Macquarie University
-
Catherine Stampfl
- School of Physics, Univ of Sydney
- Univ of Sydney
-
-
Applications of Kinetic Monte Carlo Simulations and Machine Learning to model Atomic Layer Deposition (ALD) of Metal Oxides.
ORAL
–
Presenters
-
Emily Justus
- Physics, Astronomy, and Material Science, Missouri State University
Authors
-
David Magness
- Physics, Astronomy, and Material Science, Missouri State University
-
Emily Justus
- Physics, Astronomy, and Material Science, Missouri State University
-
Bikash Timalsina
- Physics, Astronomy, and Material Science, Missouri State University
- Department of Physics, Astronomy, and Materials Science, Missouri State University
-
Judy Zhihong Wu
- Physics and Astronomy, The University of Kansas
- University of Kansas
-
Ridwan Sakidja
- Missouri State Univ
- Physics, Astronomy, and Material Science, Missouri State University
- Department of Physics, Astronomy, and Materials Science, Missouri State University
-
-
Anharmonic spectroscopic features in quasiclassical dynamics: the importance of the quantum initial conditions
ORAL
–
Presenters
-
Thomas PLE
- Sorbonne University
Authors
-
Thomas PLE
- Sorbonne University
-
Simon Huppert
- Sorbonne University
-
Fabio Finocchi
- CNRS - Sorbonne University
-
Philippe Depondt
- Sorbonne University
-
Sara Bonella
- Centre Européen de Calcul Atomique et Moléculaire, EPF-Lausanne
-
-
Stochastic thermodynamics of the transition path ensemble
ORAL
–
Presenters
-
Miranda Louwerse
- Simon Fraser Univ
Authors
-
Miranda Louwerse
- Simon Fraser Univ
-
David Sivak
- Simon Fraser Univ
- Physics, Simon Fraser Univ
- Physics, Simon Fraser University
-
-
More and Faster: Simultaneously Improving Reaction Coverage and Computational Cost in Automated Reaction Prediction Tasks
ORAL
–
Presenters
-
Qiyuan Zhao
- Chemical Engineering, Purdue University
Authors
-
Qiyuan Zhao
- Chemical Engineering, Purdue University
-
Brett Savoie
- Chemical Engineering, Purdue University
- Purdue University
- Davidson School of Chemical Engineering, Purdue University
-
-
Investigating the role of catalyst activity in nanocatalysed self-oscillating chemical reactions via bifurcation analyses
ORAL
–
Presenters
-
Vandana Rajput
- Indian Inst of Tech Gandhinagar
Authors
-
Vandana Rajput
- Indian Inst of Tech Gandhinagar
-
Pratyush Dayal
- Indian Inst of Tech Gandhinagar
-
-
Understanding the role of sulfur in controlling carbon monoxide reactivity on iron surface: A DFT and Microkinetic perspective
ORAL
–
Presenters
-
Omotayo Salawu
- Texas A&M University at Qatar
Authors
-
Omotayo Salawu
- Texas A&M University at Qatar
-
El Tayeb Bentria
- Qatar environment and energy research institute
-
Heesoo Park
- Qatar environment and energy research institute
-
Othmane Bouhali
- Texas A&M University at Qatar
- Texas A&M University at Qatar, Doha, Qatar
-
Fadwa El Mellouhi
- Qatar environment and energy research institute
-
-
Modeling the Argon bombardment and densification of Low-Temperature Organic Precursors using Reactive Molecular Dynamics Simulations and Machine Learning
ORAL
–
Presenters
-
Kwabena Asante Boahen
- Missouri State Univ
Authors
-
Kwabena Asante Boahen
- Missouri State Univ
-
Nirmal Baishnab
- Missouri State Univ
- Department of Physics and Astronomy, University of Missouri
-
Ridwan Sakidja
- Missouri State Univ
- Physics, Astronomy, and Material Science, Missouri State University
- Department of Physics, Astronomy, and Materials Science, Missouri State University
-