Quantum Dynamics Simulation of Electrons in Materials on High-Performance Computers. - Andre Schleife; Erik W. Draeger; Victor M. Anisimov; Alfredo A. Correa; Yosuke Kanai (Comput. Sci. Eng., 2014)

Massively parallel first-principles simulation of electron dynamics in materials. - Erik W. Draeger; Xavier Andrade; John A. Gunnels; Abhinav Bhatele; Andre Schleife; Alfredo A. Correa (J. Parallel Distributed Comput., 2017)

Solving the Bethe-Salpeter equation on massively parallel architectures. - Xiao Zhang; Sebastian Achilles; Jan Winkelmann; Roland Haas; André Schleife; Edoardo Di Napoli (Comput. Phys. Commun., 2021)

Accelerating Electronic Stopping Power Predictions by 10 Million Times with a Combination of Time-Dependent Density Functional Theory and Machine Learning. - Logan T. Ward; Ben Blaiszik; Cheng-Wei Lee 006; Troy Martin; Ian T. Foster; André Schleife (CoRR, 2023)

Transforming the Hybrid Cloud for Emerging AI Workloads. - Deming Chen; Alaa Youssef; Ruchi Pendse; André Schleife; Bryan K. Clark; Hendrik F. Hamann; Jingrui He; Teodoro Laino; Lav R. Varshney; Yuxiong Wang; Avirup Sil; Reyhaneh Jabbarvand; et al. (CoRR, 2024)