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Pavel A. Dub

University of Texas Dallas

28H指数
143论文数
3.2K被引数
收录论文 41
发表时间
Enantioselective Transfer Hydrogenation of α-Methoxyimino-β-keto EstersΑ-甲氧基亚氨基-β-酮酯的对映选择性转移氢化
err2024-08-30
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errTharra, Prabhakara R.; Svejkar, Jiri; Jadhav, Abhijeet S.; Necas, Marek; Dub, Pavel A.; Halls, Mathew D.; Svenda, Jakub
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Quantum chemical package Jaguar: A survey of recent developments and unique features
err2024-08-02
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PREAI
errCao, Yixiang; Balduf, Ty; Beachy, Michael D.; Bennett, M. Chandler; Bochevarov, Art D.; Chien, Alan; Dub, Pavel A.; Dyall, Kenneth G.; Furness, James W.; Halls, Mathew D.; Hughes, Thomas F.; Jacobson, Leif D.; Kwak, H. Shaun; Levine, Daniel S.; Mainz, Daniel T.; Moore III, Kevin B.; Svensson, Mats; Videla, Pablo E.; Watson, Mark A.; Friesner, Richard A.
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Quantum Davidson algorithm for excited states激发态的量子Davidson算法
err2024-04-22
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errOAAI
errTkachenko, Nikolay, V; Cincio, Lukasz; Boldyrev, Alexander, I; Tretiak, Sergei; Dub, Pavel A.; Zhang, Yu
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Quantum Simulation of Molecular Response Properties in the NISQ Era
err2023-12-06
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PREAI
errKumar, Ashutosh; Asthana, Ayush; Abraham, Vibin; Crawford, T. Daniel; Mayhall, Nicholas J.; Zhang, Yu; Cincio, Lukasz; Tretiak, Sergei; Dub, Pavel A.
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Partitioning Quantum Chemistry Simulations with Clifford Circuits
err2023-07-25
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errOAAI
errSchleich, Philipp; Boen, Joseph; Cincio, Lukasz; Anand, Abhinav; Kottmann, Jakob S.; Tretiak, Sergei; Dub, Pavel A.; Aspuru-Guzik, Alan
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Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer
err2023-01-01
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errOAAI
errAsthana, Ayush; Kumar, Ashutosh; Abraham, Vibin; Grimsley, Harper; Zhang, Yu; Cincio, Lukasz; Tretiak, Sergei; Dub, Pavel A.; Economou, Sophia E.; Barnes, Edwin; Mayhall, Nicholas J.
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The Source of Proton in the Noyori-Ikariya Catalytic Cycle
err2022-10-13
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PREAI
errTkachenko, Nikolay V.; Rublev, Pavel; Dub, Pavel A.
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Molecular dynamics on quantum annealers
err2022-10-07
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errOAAI
errGaidai, Igor; Babikov, Dmitri; Teplukhin, Alexander; Kendrick, Brian K.; Mniszewski, Susan M.; Zhang, Yu; Tretiak, Sergei; Dub, Pavel A.
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Isolating intermediates
err2022-09-27
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PREAI
errDub, Pavel A.
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Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits
err2022-08-19
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errKumar, Ashutosh; Asthana, Ayush; Masteran, Conner; Vleev, Edward F.; Zhang, Yu; Cincio, Lukasz; Tretiak, Sergei; Dub, Pavel A.
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Variational quantum eigensolver with reduced circuit complexity
err2022-08-12
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errOAAI
errZhang, Yu; Cincio, Lukasz; Negre, Christian F. A.; Czarnik, Piotr; Coles, Patrick J.; Anisimov, Petr M.; Mniszewski, Susan M.; Tretiak, Sergei; Dub, Pavel A.
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Catalytic Stereoconvergent Synthesis of Homochiral β-CF3, β-SCF3, and β-OCF3 Benzylic Alcohols
err2022-06-08
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errCotman, Andrej Emanuel; Dub, Pavel A.; Sterle, Masa; Lozinsek, Matic; Dernovsek, Jaka; Zajec, Ziva; Zega, Anamarija; Tomasic, Tihomir; Cahard, Dominique
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Toward a QUBO-Based Density Matrix Electronic Structure Method
err2022-06-03
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errNegre, Christian F. A.; Lopez-Bezanilla, Alejandro; Zhang, Yu; Akrobotu, Prosper D.; Mniszewski, Susan M.; Tretiak, Sergei; Dub, Pavel A.
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Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics on CPUs and GPUs
err2022-04-22
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PREAI
errYokelson, Dewi; Tkachenko, Nikolay, V; Robey, Robert; Li, Ying Wai; Dub, Pavel A.
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Vanadium-Catalyzed Stereo- and Regioselective Hydroboration of Alkynes to Vinyl Boronates
err2022-04-21
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PREAI
errZhang, Guoqi; Zeng, Haisu; Zheng, Shengping; Neary, Michelle C.; Dub, Pavel A.
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Pressurized formic acid dehydrogenation: an entropic spring replaces hydrogen compression cost
err2022-01-01
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errDo, Van K.; Vargas, Nicolas Alfonso; Chavez, Anthony J.; Zhang, Long; Cherepakhin, Valeriy; Lu, Zhiyao; Currier, Robert P.; Dub, Pavel A.; Gordon, John C.; Williams, Travis J.
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Computing molecular excited states on a D-Wave quantum annealer
err2021-09-22
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errTeplukhin, Alexander; Kendrick, Brian K.; Mniszewski, Susan M.; Zhang, Yu; Kumar, Ashutosh; Negre, Christian F. A.; Anisimov, Petr M.; Tretiak, Sergei; Dub, Pavel A.
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Reduction of the molecular hamiltonian matrix using quantum community detection
err2021-02-18
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errMniszewski, Susan M.; Dub, Pavel A.; Tretiak, Sergei; Anisimov, Petr M.; Zhang, Yu; Negre, Christian F. A.
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Electronic structure with direct diagonalization on a D-wave quantum annealer
err2020-11-27
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errTeplukhin, Alexander; Kendrick, Brian K.; Tretiak, Sergei; Dub, Pavel A.
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Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C=X (X = O, N) Functionalities (vol 141, pg 15230, 2019)
err2020-09-14
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errZhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.
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