81 citations · 126 across the 3 of their papers we have counts for
3 papers
quant-ph2023★ 10 cited
Accelerating Quantum Optimal Control of Multi-Qubit Systems with Symmetry-Based Hamiltonian Transformations
Xian Wang, Mahmut Sait Okyay, Anshuman Kumar +1
We present a novel, computationally efficient approach to accelerate quantum optimal control calculations of large multi-qubit systems used in a variety of quantum computing applic…
physics.chem-ph2022★ 35 cited
High-Temperature Decomposition of Diisopropyl Methylphosphonate (DIMP) on Alumina: Mechanistic Predictions from Ab Initio Molecular Dynamics
Sohag Biswas, Bryan M. Wong
The enhanced degradation of organophosphorous-based chemical warfare agents (CWAs) on metal-oxide surfaces holds immense promise for neutralization efforts; however, the underlying…
physics.chem-ph2018★ 81 cited
The Importance of Short- and Long-Range Exchange on Various Excited State Properties of DNA Monomers, Stacked Complexes, and Watson-Crick Pairs
Alexandra E. Raeber, Bryan M. Wong
We present a detailed analysis of several time-dependent DFT (TD-DFT) methods, including conventional hybrid functionals and two types of non-empirically tuned range-separated func…