Eigenvector centrality for characterization of protein allosteric pathways von Negre, Christian F. A., Morzan, Uriel N., Hendrickson, Heidi P., Pal, Rhitankar, Lisi, George P., Loria, J. Patrick, Rivalta, Ivan, Ho, Junming, Batista, Victor S.

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Detecting multiple communities using quantum annealing on the D-Wave system von Negre, Christian F A, Ushijima-Mwesigwa, Hayato, Mniszewski, Susan M

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Advanced lipid peroxidation end products in oxidative damage to proteins. Potential role in diseases and therapeutic prospects for the inhibitors von Negre‐Salvayre, A, Coatrieux, C, Ingueneau, C, Salvayre, R

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Controlled precision QUBO-based algorithm to compute eigenvectors of symmetric matrices von Krakoff, Benjamin, Mniszewski, Susan M, Negre, Christian F A

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Reduction of the molecular hamiltonian matrix using quantum community detection von Mniszewski, Susan M., Dub, Pavel A., Tretiak, Sergei, Anisimov, Petr M., Zhang, Yu, Negre, Christian F. A.

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Oxidative theory of atherosclerosis and antioxidants von Salvayre, R., Negre-Salvayre, A., Camaré, C.

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A QUBO formulation for top-τ eigencentrality nodes von Akrobotu, Prosper D, James, Tamsin E, Negre, Christian F A, Mniszewski, Susan M

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Computing molecular excited states on a D-Wave quantum annealer von Teplukhin, Alexander, Kendrick, Brian K., Mniszewski, Susan M., Zhang, Yu, Kumar, Ashutosh, Negre, Christian F. A., Anisimov, Petr M., Tretiak, Sergei, Dub, Pavel A.

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Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels von Fattebert, Jean-Luc, Negre, Christian F. A., Finkelstein, Joshua, Mohd-Yusof, Jamaludin, Osei-Kuffuor, Daniel, Wall, Michael E., Zhang, Yu, Bock, Nicolas, Mniszewski, Susan M.

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Multilevel Combinatorial Optimization across Quantum Architectures von Ushijima-Mwesigwa, Hayato, Shaydulin, Ruslan, Negre, Christian F. A., Mniszewski, Susan M., Alexeev, Yuri, Safro, Ilya

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Variational quantum eigensolver with reduced circuit complexity von Zhang, Yu, Cincio, Lukasz, Negre, Christian F. A., Czarnik, Piotr, Coles, Patrick J., Anisimov, Petr M., Mniszewski, Susan M., Tretiak, Sergei, Dub, Pavel A.

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Quantum isomer search von Terry, Jason P, Akrobotu, Prosper D, Negre, Christian F A, Mniszewski, Susan M

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Graph-based linear scaling electronic structure theory von Niklasson, Anders M. N., Mniszewski, Susan M., Negre, Christian F. A., Cawkwell, Marc J., Swart, Pieter J., Mohd-Yusof, Jamal, Germann, Timothy C., Wall, Michael E., Bock, Nicolas, Rubensson, Emanuel H., Djidjev, Hristo

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Single Molecule Rectification Induced by the Asymmetry of a Single Frontier Orbital von Ding, Wendu, Negre, Christian F. A, Vogt, Leslie, Batista, Victor S

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Characterization of an Amorphous Iridium Water-Oxidation Catalyst Electrodeposited from Organometallic Precursors von Blakemore, James D, Mara, Michael W, Kushner-Lenhoff, Maxwell N, Schley, Nathan D, Konezny, Steven J, Rivalta, Ivan, Negre, Christian F. A, Snoeberger, Robert C, Kokhan, Oleksandr, Huang, Jier, Stickrath, Andrew, Tran, Lan Anh, Parr, Maria L, Chen, Lin X, Tiede, David M, Batista, Victor S, Crabtree, Robert H, Brudvig, Gary W

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Degree of severity of molar incisor hypomineralization and its relation to dental caries von Negre-Barber, A., Montiel-Company, J. M., Catalá-Pizarro, M., Almerich-Silla, J. M.

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Controlling the rectification properties of molecular junctions through molecule-electrode coupling von Koepf, Matthieu, Koenigsmann, Christopher, Ding, Wendu, Batra, Arunbah, Negre, Christian F. A, Venkataraman, Latha, Brudvig, Gary W, Batista, Victor S, Schmuttenmaer, Charles A, Crabtree, Robert H

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Recursive Factorization of the Inverse Overlap Matrix in Linear-Scaling Quantum Molecular Dynamics Simulations von Negre, Christian F. A, Mniszewski, Susan M, Cawkwell, Marc J, Bock, Nicolas, Wall, Michael E, Niklasson, Anders M. N

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A fast, dense Chebyshev solver for electronic structure on GPUs von Finkelstein, Joshua, Negre, Christian F. A., Fattebert, Jean-Luc

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Using Graph Partitioning for Scalable Distributed Quantum Molecular Dynamics von Djidjev, Hristo N., Hahn, Georg, Mniszewski, Susan M., Negre, Christian F. A., Niklasson, Anders M. N.

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