Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernelsJean‐Luc Fattebert, Susan M. Mniszewski, Yu Zhang et al.|The Journal of Chemical Physics|2024Cited by 4
Next Generation Quantum Based Molecular Dynamics: Hybrid Performance Optimization [Slide]Christian F. A. Negre, Michael E. Wall, Anders M. N. Niklasson et al.|Unknown|2023Cited by 0
Modeling Reactions on the Solid-Liquid Interface With Next Generation Extended Lagrangian Quantum-Based Molecular DynamicsRae A. Corrigan Grove, Christian F. A. Negre, Anders M. N. Niklasson et al.|arXiv (Cornell University)|2025Cited by 0