Christian F. A. Negre

22 papers Journal 21Unranked 1

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis. J. Chem. Inf. Model. Rae A. Corrigan Grove, Michael A. Moxley, Christian F. A. Negre, Marc J. Cawkwell, Anders M. N. Niklasson, Susan M. Mniszewski, Nathan Smith, Kevin Prososki, Mark A. Wilson, Michael E. Wall
2025	J	`jnl`	GPU-Accelerated Charge-Equilibration for Shadow Molecular Dynamics in Python. CoRR Mehmet Cagri Kaymak, Nicholas Lubbers, Christian F. A. Negre, Michael E. Wall, Anders M. N. Niklasson
2024	J	`jnl`	Accelerating Matrix Diagonalization through Decision Transformers with Epsilon-Greedy Optimization. CoRR Kshitij Bhatta, Geigh Zollicoffer, Manish Bhattarai, Phil Romero, Christian F. A. Negre, Anders M. N. Niklasson, Adetokunbo Adedoyin
2024	J	`jnl`	Co-design for Particle Applications at Exascale. Comput. Sci. Eng. 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, Anders M. N. Niklasson, James F. Belak, Susan M. Mniszewski, Danny Perez
2024	J	`jnl`	Towards Faster Matrix Diagonalization with Graph Isomorphism Networks and the AlphaZero Framework. CoRR Geigh Zollicoffer, Kshitij Bhatta, Manish Bhattarai, Phil Romero, Christian F. A. Negre, Anders M. N. Niklasson, Adetokunbo Adedoyin
2023	J	`jnl`	Matrix Diagonalization as a Board Game: Teaching an Eigensolver the Fastest Path to Solution. CoRR Philip Romero, Manish Bhattarai, Christian F. A. Negre, Anders M. N. Niklasson, Adetokunbo Adedoyin
2023	J	`jnl`	Quantum computing for a profusion of postman problem variants. Quantum Mach. Intell. Joel E. Pion, Christian F. A. Negre, Susan M. Mniszewski
2021	J	`jnl`	A QUBO Algorithm to Compute Eigenvectors of Symmetric Matrices. CoRR Benjamin Krakoff, Susan M. Mniszewski, Christian F. A. Negre
2021	J	`jnl`	Enabling particle applications for exascale computing platforms. CoRR Susan M. Mniszewski, James F. Belak, Jean-Luc Fattebert, Christian F. A. Negre, Stuart R. Slattery, Adetokunbo Adedoyin, Robert F. Bird, Choong-Seock Chang, Guangye Chen, Stéphane Ethier, Shane Fogerty, Salman Habib, Christoph Junghans, Damien Lebrun-Grandié, Jamaludin Mohd-Yusof, Stan G. Moore, Daniel Osei-Kuffuor, Steven J. Plimpton, Adrian Pope, Samuel Temple Reeve, Lee F. Ricketson, Aaron Scheinberg, Amil Y. Sharma, Michael E. Wall
2021	J	`jnl`	Enabling particle applications for exascale computing platforms. Int. J. High Perform. Comput. Appl. 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, Christoph Junghans, Damien Lebrun-Grandié, Jamaludin Mohd-Yusof, Stan G. Moore, Daniel Osei-Kuffuor, Steven J. Plimpton, Adrian Pope, Samuel Temple Reeve, Lee F. Ricketson, Aaron Scheinberg, Amil Y. Sharma, Michael E. Wall
2021	J	`jnl`	Multilevel Combinatorial Optimization across Quantum Architectures. ACM Trans. Quantum Comput. Hayato Ushijima-Mwesigwa, Ruslan Shaydulin, Christian F. A. Negre, Susan M. Mniszewski, Yuri Alexeev, Ilya Safro
2021	J	`jnl`	Performance Optimizations of Recursive Electronic Structure Solvers targeting Multi-Core Architectures (LA-UR-20-26665). CoRR 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
2020	J	`jnl`	Downfolding the Molecular Hamiltonian Matrix using Quantum Community Detection. CoRR Susan M. Mniszewski, Pavel A. Dub, Sergei Tretiak, Petr M. Anisimov, Yu Zhang, Christian F. A. Negre
2019	J	`jnl`	A Hybrid Approach for Solving Optimization Problems on Small Quantum Computers. Computer Ruslan Shaydulin, Hayato Ushijima-Mwesigwa, Christian F. A. Negre, Ilya Safro, Susan M. Mniszewski, Yuri Alexeev
2019	J	`jnl`	Detecting Multiple Communities Using Quantum Annealing on the D-Wave System. CoRR Christian F. A. Negre, Hayato Ushijima-Mwesigwa, Susan M. Mniszewski
2019	J	`jnl`	Multilevel Combinatorial Optimization Across Quantum Architectures. CoRR Hayato Ushijima-Mwesigwa, Ruslan Shaydulin, Christian F. A. Negre, Susan M. Mniszewski, Yuri Alexeev, Ilya Safro
2019	J	`jnl`	Quantum Isomer Search. CoRR Jason P. Terry, Prosper D. Akrobotu, Christian F. A. Negre, Susan M. Mniszewski
2019	J	`jnl`	Using Graph Partitioning for Scalable Distributed Quantum Molecular Dynamics. Algorithms Hristo N. Djidjev, Georg Hahn, Susan M. Mniszewski, Christian F. A. Negre, Anders M. N. Niklasson
2018	J	`jnl`	The basic matrix library (BML) for quantum chemistry. J. Supercomput. 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
2017	J	`jnl`	Graph Partitioning using Quantum Annealing on the D-Wave System. CoRR Hayato Ushijima-Mwesigwa, Christian F. A. Negre, Susan M. Mniszewski
2017	J	`jnl`	Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning. SIAM J. Sci. Comput. Purnima Ghale, Matthew P. Kroonblawd, Sue Mniszewski, Christian F. A. Negre, Robert Pavel, Sergio Pino, Vivek Sardeshmukh, Guangjie Shi, Georg Hahn
2016	—	`conf`	Graph Partitioning Methods for Fast Parallel Quantum Molecular Dynamics. CSC Hristo N. Djidjev, Georg Hahn, Susan M. Mniszewski, Christian F. A. Negre, Anders M. N. Niklasson, Vivek B. Sardeshmukh