An approximate framework for quantum transport calculation with model order reduction. - Quan Chen 007; Jun Li; Chiyung Yam; Yu Zhang 010; Ngai Wong 001; Guanhua Chen (J. Comput. Phys., 2015)

Downfolding the Molecular Hamiltonian Matrix using Quantum Community Detection. - Susan M. Mniszewski; Pavel A. Dub; Sergei Tretiak; Petr M. Anisimov; Yu Zhang 010; Christian F. A. Negre (CoRR, 2020)

Molecular Dynamics on Quantum Annealers. - Igor Gayday; Dmitri Babikov; Alexander Teplukhin; Brian K. Kendrick; Susan M. Mniszewski; Yu Zhang 010; Sergei Tretiak; Pavel A. Dub (CoRR, 2021)

Co-design for Particle Applications at Exascale. - Samuel Temple Reeve; Jean-Luc Fattebert; Stephen Dewitt; Pablo Seleson; David Joy; Stuart R. Slattery; Aaron Scheinberg; Rene Halver; Christoph Junghans; Christian F. A. Negre; Michael E. Wall; Yu Zhang 010; et al. (Comput. Sci. Eng., 2024)