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Mathematical Biosciences
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March 17, 2006
Semi-empirical power-law scaling of new infection rate to model epidemic dynamics with inhomogeneous mixing
Phillip D Stroud, Stephen J Sydoriak, Jane M Riese, et al.
Journal of Chemical Theory and Computation
|
June 9, 2016
Recursive Factorization of the Inverse Overlap Matrix in Linear-Scaling Quantum Molecular Dynamics Simulations
Christian F A Negre, Susan M Mniszewski, Marc J Cawkwell, et al.
Journal of Chemical Theory and Computation
|
November 20, 2018
Linear Scaling Pseudo Fermi-Operator Expansion for Fractional Occupation
Susan M Mniszewski, Romain Perriot, Emanuel H Rubensson, et al.
Scientific Reports
|
October 7, 2022
Molecular dynamics on quantum annealers
Igor Gaidai, Dmitri Babikov, Alexander Teplukhin, et al.
Journal of Chemical Theory and Computation
|
April 2, 2021
Mixed Precision Fermi-Operator Expansion on Tensor Cores from a Machine Learning Perspective
Joshua Finkelstein, Justin S Smith, Susan M Mniszewski, et al.
Journal of Chemical Theory and Computation
|
June 6, 2022
Toward a QUBO-Based Density Matrix Electronic Structure Method
Christian F A Negre, Alejandro Lopez-Bezanilla, Yu Zhang, et al.
Journal of Chemical Theory and Computation
|
October 1, 2021
Quantum-Based Molecular Dynamics Simulations Using Tensor Cores
Joshua Finkelstein, Justin S Smith, Susan M Mniszewski, et al.
Scientific Reports
|
September 23, 2021
Computing molecular excited states on a D-Wave quantum annealer
Alexander Teplukhin, Brian K Kendrick, Susan M Mniszewski, et al.
The Journal of Chemical Physics
|
March 29, 2024
Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels
Jean-Luc Fattebert, Christian F A Negre, Joshua Finkelstein, et al.
Journal of Chemical Information and Modeling
|
October 6, 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, et al.
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of 3
Search research articles
Search
Showing results (11-20 of 21) with videos related to
Sort By:
Page
of 3
Mathematical Biosciences
|
March 17, 2006
Semi-empirical power-law scaling of new infection rate to model epidemic dynamics with inhomogeneous mixing
Phillip D Stroud, Stephen J Sydoriak, Jane M Riese, et al.
Journal of Chemical Theory and Computation
|
June 9, 2016
Recursive Factorization of the Inverse Overlap Matrix in Linear-Scaling Quantum Molecular Dynamics Simulations
Christian F A Negre, Susan M Mniszewski, Marc J Cawkwell, et al.
Journal of Chemical Theory and Computation
|
November 20, 2018
Linear Scaling Pseudo Fermi-Operator Expansion for Fractional Occupation
Susan M Mniszewski, Romain Perriot, Emanuel H Rubensson, et al.
Scientific Reports
|
October 7, 2022
Molecular dynamics on quantum annealers
Igor Gaidai, Dmitri Babikov, Alexander Teplukhin, et al.
Journal of Chemical Theory and Computation
|
April 2, 2021
Mixed Precision Fermi-Operator Expansion on Tensor Cores from a Machine Learning Perspective
Joshua Finkelstein, Justin S Smith, Susan M Mniszewski, et al.
Journal of Chemical Theory and Computation
|
June 6, 2022
Toward a QUBO-Based Density Matrix Electronic Structure Method
Christian F A Negre, Alejandro Lopez-Bezanilla, Yu Zhang, et al.
Journal of Chemical Theory and Computation
|
October 1, 2021
Quantum-Based Molecular Dynamics Simulations Using Tensor Cores
Joshua Finkelstein, Justin S Smith, Susan M Mniszewski, et al.
Scientific Reports
|
September 23, 2021
Computing molecular excited states on a D-Wave quantum annealer
Alexander Teplukhin, Brian K Kendrick, Susan M Mniszewski, et al.
The Journal of Chemical Physics
|
March 29, 2024
Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels
Jean-Luc Fattebert, Christian F A Negre, Joshua Finkelstein, et al.
Journal of Chemical Information and Modeling
|
October 6, 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, et al.
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of 3