Christian F. A. Negre

According to our database, Christian F. A. Negre authored at least 20 papers between 2016 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2025

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, March, 2025

Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis.

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

J. Chem. Inf. Model., 2025

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, Anders M. N. Niklasson, James F. Belak, Susan M. Mniszewski, Danny Perez

Comput. Sci. Eng., 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

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

2023

Quantum computing for a profusion of postman problem variants.

Joel E. Pion, Christian F. A. Negre, Susan M. Mniszewski

Quantum Mach. Intell., December, 2023

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

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, 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

Int. J. High Perform. Comput. Appl., 2021

A QUBO Algorithm to Compute Eigenvectors of Symmetric Matrices.

Benjamin Krakoff, Susan M. Mniszewski, Christian F. A. Negre

CoRR, 2021

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

2020

Downfolding the Molecular Hamiltonian Matrix using Quantum Community Detection.

Susan M. Mniszewski, Pavel A. Dub, Sergei Tretiak, Petr M. Anisimov, Yu Zhang, Christian F. A. Negre

CoRR, 2020

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

Quantum Isomer Search.

Jason P. Terry, Prosper D. Akrobotu, Christian F. A. Negre, Susan M. Mniszewski

CoRR, 2019

Detecting Multiple Communities Using Quantum Annealing on the D-Wave System.

Christian F. A. Negre, Hayato Ushijima-Mwesigwa, Susan M. Mniszewski

CoRR, 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

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

2018

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

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

Graph Partitioning using Quantum Annealing on the D-Wave System.

Hayato Ushijima-Mwesigwa, Christian F. A. Negre, Susan M. Mniszewski

CoRR, 2017

2016

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

Proceedings of the 2016 Proceedings of the Seventh SIAM Workshop on Combinatorial Scientific Computing, 2016