Austin O Atsango

4PUBLICATIONS
7CO-AUTHORS
Reaction kinetics and dynamicsChemical thermodynamics and energeticsCatalysis and mechanisms of reactionsCircuits and systems
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Publications (4)

|Aug 15, 2023
Developing machine-learned potentials to simultaneously capture the dynamics of excess protons and hydroxide ions in classical and path integral simulations.

Austin O Atsango, Tobias Morawietz, Ondrej Marsalek

|Feb 22, 2023
An accurate and efficient Ehrenfest dynamics approach for calculating linear and nonlinear electronic spectra.

Austin O Atsango, Andrés Montoya-Castillo, Thomas E Markland

|May 05, 2022
A two-directional vibrational probe reveals different electric field orientations in solution and an enzyme active site.

Chu Zheng, Yuezhi Mao, Jacek Kozuch

|Sep 03, 2021
Characterizing and Contrasting Structural Proton Transport Mechanisms in Azole Hydrogen Bond Networks Using Ab Initio Molecular Dynamics.

Austin O Atsango, Mark E Tuckerman, Thomas E Markland

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Frequent Collaborators

4 joint publications

Thomas E Markland

1 joint publications

Mark E Tuckerman

1 joint publications

Yuezhi Mao

1 joint publications

Steven G Boxer