Pavel A. Dub

Publication Activity (10 Years)

Years Active: 2020-2022
Publications (10 Years): 5

Top Topics

Molecular Dynamics

Label Propagation Algorithm

Community Detection

Top Venues

J. Chem. Inf. Model.

Publications

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) (2022)
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 (2021)
Andi Gu, Angus Lowe, Pavel A. Dub, Patrick J. Coles, Andrew Arrasmith
Adaptive shot allocation for fast convergence in variational quantum algorithms. CoRR (2021)
Dewi Yokelson, Nikolay V. Tkachenko, Robert Robey, Ying Wai Li, Pavel A. Dub
Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics. CoRR (2021)
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 (2020)