Graph Partitioning Methods for Fast Parallel Quantum Molecular Dynamics. - Hristo N. Djidjev; Georg Hahn; Susan M. Mniszewski; Christian F. A. Negre; Anders M. N. Niklasson; Vivek B. Sardeshmukh (CSC, 2016)

Graph Partitioning using Quantum Annealing on the D-Wave System. - Hayato Ushijima-Mwesigwa; Christian F. A. Negre; Susan M. Mniszewski (CoRR, 2017)

Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning. - Purnima Ghale; Matthew P. Kroonblawd; Sue Mniszewski; Christian F. A. Negre; Robert Pavel; Sergio Pino; Vivek Sardeshmukh; Guangjie Shi; Georg Hahn (SIAM J. Sci. Comput., 2017)

The basic matrix library (BML) for quantum chemistry. - Nicolas Bock; Christian F. A. Negre; Susan M. Mniszewski; Jamaludin Mohd-Yusof; Bálint Aradi; Jean-Luc Fattebert; Daniel Osei-Kuffuor; Timothy C. Germann; Anders M. N. Niklasson (J. Supercomput., 2018)

Using Graph Partitioning for Scalable Distributed Quantum Molecular Dynamics. - Hristo N. Djidjev; Georg Hahn; Susan M. Mniszewski; Christian F. A. Negre; Anders M. N. Niklasson (Algorithms, 2019)

A Hybrid Approach for Solving Optimization Problems on Small Quantum Computers. - Ruslan Shaydulin; Hayato Ushijima-Mwesigwa; Christian F. A. Negre; Ilya Safro; Susan M. Mniszewski; Yuri Alexeev (Computer, 2019)

Detecting Multiple Communities Using Quantum Annealing on the D-Wave System. - Christian F. A. Negre; Hayato Ushijima-Mwesigwa; Susan M. Mniszewski (CoRR, 2019)

Quantum Isomer Search. - Jason P. Terry; Prosper D. Akrobotu; Christian F. A. Negre; Susan M. Mniszewski (CoRR, 2019)

Multilevel Combinatorial Optimization Across Quantum Architectures. - Hayato Ushijima-Mwesigwa; Ruslan Shaydulin; Christian F. A. Negre; Susan M. Mniszewski; Yuri Alexeev; Ilya Safro (CoRR, 2019)

Downfolding the Molecular Hamiltonian Matrix using Quantum Community Detection. - Susan M. Mniszewski; Pavel A. Dub; Sergei Tretiak; Petr M. Anisimov; Yu Zhang 010; Christian F. A. Negre (CoRR, 2020)

Performance Optimizations of Recursive Electronic Structure Solvers targeting Multi-Core Architectures (LA-UR-20-26665). - Adetokunbo Adedoyin; Christian F. A. Negre; Jamaludin Mohd-Yusof; Nicolas Bock; Daniel Osei-Kuffuor; Jean-Luc Fattebert; Michael E. Wall; Anders M. N. Niklasson; Susan M. Mniszewski (CoRR, 2021)

A QUBO Algorithm to Compute Eigenvectors of Symmetric Matrices. - Benjamin Krakoff; Susan M. Mniszewski; Christian F. A. Negre (CoRR, 2021)

Enabling particle applications for exascale computing platforms. - Susan M. Mniszewski; James F. Belak; Jean-Luc Fattebert; Christian F. A. Negre; Stuart R. Slattery; Adetokunbo A. Adedoyin; Robert F. Bird; Choong-Seock Chang; Guangye Chen; Stéphane Ethier; Shane Fogerty; Salman Habib 002; et al. (Int. J. High Perform. Comput. Appl., 2021)

Matrix Diagonalization as a Board Game: Teaching an Eigensolver the Fastest Path to Solution. - Philip Romero; Manish Bhattarai; Christian F. A. Negre; Anders M. N. Niklasson; Adetokunbo Adedoyin (CoRR, 2023)

Quantum computing for a profusion of postman problem variants. - Joel E. Pion; Christian F. A. Negre; Susan M. Mniszewski (Quantum Mach. Intell., 2023)

Accelerating Matrix Diagonalization through Decision Transformers with Epsilon-Greedy Optimization. - Kshitij Bhatta; Geigh Zollicoffer; Manish Bhattarai; Phil Romero; Christian F. A. Negre; Anders M. N. Niklasson; Adetokunbo Adedoyin (CoRR, 2024)

Towards Faster Matrix Diagonalization with Graph Isomorphism Networks and the AlphaZero Framework. - Geigh Zollicoffer; Kshitij Bhatta; Manish Bhattarai; Phil Romero; Christian F. A. Negre; Anders M. N. Niklasson; Adetokunbo Adedoyin (CoRR, 2024)

Co-design for Particle Applications at Exascale. - Samuel Temple Reeve; Jean-Luc Fattebert; Stephen Dewitt; Pablo Seleson; David Joy; Stuart R. Slattery; Aaron Scheinberg; Rene Halver; Christoph Junghans; Christian F. A. Negre; Michael E. Wall; Yu Zhang 010; et al. (Comput. Sci. Eng., 2024)

GPU-Accelerated Charge-Equilibration for Shadow Molecular Dynamics in Python. - Mehmet Cagri Kaymak; Nicholas Lubbers; Christian F. A. Negre; Michael E. Wall; Anders M. N. Niklasson (CoRR, 2025)