Michael E Wall
16PUBLICATIONS
64CO-AUTHORS
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Publications (16)
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|Feb 12, 2026
Shadow molecular dynamics for flexible multipole models.Rae A Corrigan Grove, Robert Stanton, Michael E Wall
|Jan 23, 2026
Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0].Chapin E Cavender, David A Case, Julian C-H Chen
|Oct 27, 2025
GPU-Accelerated Graph-Based Semiempirical Quantum Chemistry.Maksim Kulichenko, Robert M Stanton, Cheng-Han Li
|Oct 06, 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
|Apr 08, 2025
Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v0.1].Chapin E Cavender, David A Case, Julian C-H Chen
|Mar 29, 2024
Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels.Jean-Luc Fattebert, Christian F A Negre, Joshua Finkelstein
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Frequent Collaborators
6 joint publications
David L Mobley
5 joint publications
David C Wych
4 joint publications
Mark A Wilson
3 joint publications
Anders M N Niklasson
2 joint publications
Susan M Mniszewski
2 joint publications
James S Fraser
2 joint publications
David A Case
2 joint publications
Chapin E Cavender
2 joint publications
Christian F A Negre
2 joint publications
Alexander M Wolff
