84 citations · 381 across the 30 of their papers we have counts for
5 papers · 1 filter
Multilevel Combinatorial Optimization Across Quantum Architectures
Hayato Ushijima-Mwesigwa, Ruslan Shaydulin, Christian F. A. Negre +3
Emerging quantum processors provide an opportunity to explore new approaches for solving traditional problems in the post Moore's law supercomputing era. However, the limited numbe…
Quantum Isomer Search
Jason P. Terry, Prosper D. Akrobotu, Christian F. A. Negre +1
Isomer search or molecule enumeration refers to the problem of finding all the isomers for a given molecule. Many classical search methods have been developed in order to tackle th…
Modeling solid-liquid interface reactions with next generation extended Lagrangian quantum-based molecular dynamics
Kevin G. Kleiner, Aparna Nair-Kanneganti, Christian F. A. Negre +2
We demonstrate the applicability of extended Lagrangian Born-Oppenheimer quantum-based molecular dynamics (XL-BOMD) to model electron transfer reactions occurring on solid-liquid i…
Using Graph Partitioning for Scalable Distributed Quantum Molecular Dynamics
Hristo N. Djidjev, Georg Hahn, Susan M. Mniszewski +2
The simulation of the physical movement of multi-body systems at an atomistic level, with forces calculated from a quantum mechanical description of the electrons, motivates a grap…
Detecting Multiple Communities Using Quantum Annealing on the D-Wave System
Christian F. A. Negre, Hayato Ushijima-Mwesigwa, Susan M. Mniszewski
A very important problem in combinatorial optimization is partitioning a network into communities of densely connected nodes; where the connectivity between nodes inside a particul…