Electronic structure with direct diagonalization on a D-wave quantum annealer

por Teplukhin, Alexander, Kendrick, Brian K., Tretiak, Sergei, Dub, Pavel A.
Publicado 2020

Markovnikov alcohols via epoxide hydroboration by molecular alkali metal catalysts

por Zhang, Guoqi, Zeng, Haisu, Zheng, Shengping, Neary, Michelle C., Dub, Pavel A.
Publicado 2022

Sampling electronic structure quadratic unconstrained binary optimization problems (QUBOs) with Ocean and Mukai solvers

por Teplukhin, Alexander, Kendrick, Brian K., Mniszewski, Susan M., Tretiak, Sergei, Dub, Pavel A.
Publicado 2022

Reduction of the molecular hamiltonian matrix using quantum community detection

por Mniszewski, Susan M., Dub, Pavel A., Tretiak, Sergei, Anisimov, Petr M., Zhang, Yu, Negre, Christian F. A.
Publicado 2021

Molecular dynamics on quantum annealers

por Gaidai, Igor, Babikov, Dmitri, Teplukhin, Alexander, Kendrick, Brian K., Mniszewski, Susan M., Zhang, Yu, Tretiak, Sergei, Dub, Pavel A.
Publicado 2022

Catalytic Stereoconvergent Synthesis of Homochiral β-CF(3), β-SCF(3), and β-OCF(3) Benzylic Alcohols

por Cotman, Andrej Emanuel, Dub, Pavel A., Sterle, Maša, Lozinšek, Matic, Dernovšek, Jaka, Zajec, Živa, Zega, Anamarija, Tomašič, Tihomir, Cahard, Dominique
Publicado 2022

Computing molecular excited states on a D-Wave quantum annealer

por Teplukhin, Alexander, Kendrick, Brian K., Mniszewski, Susan M., Zhang, Yu, Kumar, Ashutosh, Negre, Christian F. A., Anisimov, Petr M., Tretiak, Sergei, Dub, Pavel A.
Publicado 2021

Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer

por Asthana, Ayush, Kumar, Ashutosh, Abraham, Vibin, Grimsley, Harper, Zhang, Yu, Cincio, Lukasz, Tretiak, Sergei, Dub, Pavel A., Economou, Sophia E., Barnes, Edwin, Mayhall, Nicholas J.
Publicado 2023