Austin O. Atsango

A two-directional vibrational probe reveals different electric field orientations in solution and an enzyme active site

Chu Zheng, Yuezhi Mao, Jacek Kozuch et al. · Nature Chemistry · 2022 · 73 citations · Full text

Enzyme Active Site, Biochemistry, Biophysical Aspect +2

Elucidating the Proton Transport Pathways in Liquid Imidazole with First-Principles Molecular Dynamics

Zhuoran Long, Austin O. Atsango, Joseph A. Napoli et al. · The Journal of Physical Chemistry Letters · 2020 · 27 citations · Full text

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, Ondřej Maršálek et al. · The Journal of Chemical Physics · 2023 · 18 citations · Full text

Machine-learned Potentials, Engineering, Hydroxide Ions +18

Interfacial properties of pure and doped CdS/graphene composites: CdS(0001)/graphene and a CdS/graphene bilayer

Leah Isseroff Bendavid, Austin O. Atsango, Reid W. Smith · Computational Materials Science · 2020 · 11 citations