Quantum-centric supercomputing for materials science: A perspective on challenges and future directions
- Yuri Alexeev
- Maximilian Amsler
- et al.
- 2024
- Future Generation Computer Systems
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3 results for Matthew R. Hermes
Distinguishing homolytic vs heterolytic bond dissociation of phenylsulfonium cations with localized active space methods
- Qiaohong Wang
- Valay Agarawal
- et al.
- 2024
- Journal of Chemical Physics
Recent developments in the P y SCF program package
- Qiming Sun
- Xing Zhang
- et al.
- 2020
- Journal of Chemical Physics