31 citations · 41 across the 3 of their papers we have counts for
3 papers
Hydrogen in Disordered Titania: Connecting Local Chemistry, Structure, and Stoichiometry through Accelerated Exploration
James Chapman, Kyoung E. Kweon, Yakun Zhu +8
Hydrogen incorporation in native surface oxides of metal alloys often controls the onset of metal hydriding, with implications for materials corrosion and hydrogen storage. A key r…
Semi-Automated Creation of Density Functional Tight Binding Models Through Leveraging Chebyshev Polynomial-based Force Fields
Nir Goldman, Kyoung Eun Kweon, Babak Sadigh +8
Density Functional Tight Binding (DFTB) is an attractive method for accelerated quantum simulations of condensed matter due to its enhanced computational efficiency over standard D…
On Quantifying Large Lattice Relaxations in Photovoltaic Devices
Marco Nardone, Yasas Patikirige, Kyoung E. Kweon +5
Temporal variations of Cu(In,Ga)Se photovoltaic device properties during light exposure at various temperatures and voltage biases for times up to 100 h were analyzed using the…