299 citations · 2.8k across the 45 of their papers we have counts for
7 papers · 1 filter
Non-Empirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases
Michael E. Foster, Bryan M. Wong
Using a non-empirically tuned range-separated DFT approach, we study both the quasiparticle properties (HOMO-LUMO fundamental gaps) and excitation energies of DNA and RNA nucleobas…
PAMELA: An Open-Source Software Package for Calculating Nonlocal Exact Exchange Effects on Electron Gases in Core-Shell Nanowires
Andrew W. Long, Bryan M. Wong
We present a new pseudospectral approach for incorporating many-body, nonlocal exact exchange interactions to understand the formation of electron gases in core-shell nanowires. Ou…
Molecular Dynamics Studies of Dislocations in CdTe Crystals from a New Bond Order Potential
X. W. Zhou, D. K. Ward, B. M. Wong +2
Cd1-xZnxTe (CZT) crystals are the leading semiconductors for radiation detection, but their application is limited by the high cost of detector-grade materials. High crystal costs…
Defect formation dynamics during CdTe overlayer growth
J. J. Chavez, D. K. Ward, B. M. Wong +7
The presence of atomic-scale defects at multilayer interfaces significantly degrades performance in CdTe-based photovoltaic technologies. The ability to accurately predict and unde…
High-fidelity simulations of CdTe vapor deposition from a new bond-order potential-based molecular dynamics method
X. W. Zhou, D. Ward, B. M. Wong +8
CdTe has been a special semiconductor for constructing the lowest-cost solar cells and the CdTe-based Cd1-xZnxTe alloy has been the leading semiconductor for radiation detection ap…
Melt-growth dynamics in CdTe crystals
X. W. Zhou, D. K. Ward, B. M. Wong +1
We use a new, quantum-mechanics-based bond-order potential (BOP) to reveal melt-growth dynamics and fine-scale defect formation mechanisms in CdTe crystals. Previous molecular dyna…
Reversible, Opto-Mechanically Induced Spin-Switching in a Nanoribbon-Spiropyran Hybrid Material
Bryan M. Wong, Simon H. Ye, Greg O'Bryan
It has recently been shown that electronic transport in zigzag graphene nanoribbons becomes spin-polarized upon application of an electric field across the nanoribbon width. Howeve…