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Journal Articles
- 2022
[j1]Dewi Yokelson
, Nikolay V. Tkachenko, Robert Robey, Ying Wai Li, Pavel A. Dub:
Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics on CPUs and GPUs. J. Chem. Inf. Model. 62(10): 2378-2386 (2022)
Informal and Other Publications
- 2021
- [i4]Andi Gu, Angus Lowe, Pavel A. Dub, Patrick J. Coles, Andrew Arrasmith:
Adaptive shot allocation for fast convergence in variational quantum algorithms. CoRR abs/2108.10434 (2021) - [i3]Dewi Yokelson, Nikolay V. Tkachenko, Robert Robey, Ying Wai Li, Pavel A. Dub:
Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics. CoRR abs/2109.04536 (2021) - [i2]Igor Gayday, Dmitri Babikov, Alexander Teplukhin, Brian K. Kendrick, Susan M. Mniszewski, Yu Zhang, Sergei Tretiak, Pavel A. Dub:
Molecular Dynamics on Quantum Annealers. CoRR abs/2110.12096 (2021) - 2020
- [i1]Susan M. Mniszewski, Pavel A. Dub, Sergei Tretiak, Petr M. Anisimov, Yu Zhang, Christian F. A. Negre:
Downfolding the Molecular Hamiltonian Matrix using Quantum Community Detection. CoRR abs/2011.14268 (2020)
Coauthor Index
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