Pavel A. Dub
- Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer
2022/06/21 by Ayush Asthana, Ashutosh Kumar, Asthana, Ayush +19 · 6 citations
Computer Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #Cold Atom Physics and Bose-Einstein Condensates #FOS: Physical sciences #Quantum Computing Algorithms and Architecture #Quantum Physics (quant-ph) #Strongly Correlated Electrons (cond-mat.str-el)
- Quantum simulation of molecular response properties
2023/01/16 by Ashutosh Kumar, Ayush Asthana, Kumar, Ashutosh +15 · 6 citations
Computer Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Quantum Physics (quant-ph) #Quantum and electron transport phenomena
- Quantum Davidson Algorithm for Excited States
2022/04/22 by Nikolay V. Tkachenko, Łukasz Cincio, Tkachenko, Nikolay V. +9 · 5 citations
Computer Science · Physics and Astronomy · #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Spectroscopy and Quantum Chemical Studies
- Sampling electronic structure QUBOs with Ocean and Mukai solvers
2021/02/01 by Alexander Teplukhin, Brian K. Kendrick, Teplukhin, Alexander +7 · 1 citation
Computer Science · Chemistry · #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Advanced Physical and Chemical Molecular Interactions
- Downfolding the Molecular Hamiltonian Matrix using Quantum Community Detection
2020/11/29 by Susan M. Mniszewski, Pavel A. Dub, Mniszewski, Susan M. +9 · 1 citation
Chemistry · Computer Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #Emerging Technologies (cs.ET) #FOS: Computer and information sciences #FOS: Physical sciences #Molecular spectroscopy and chirality #Spectroscopy and Quantum Chemical Studies