Sabre Kais Group
Quantum Information and Quantum Computation
Publications
2024
'Walking with the Atoms in a Chemical Bond: A Perspective Using Quantum Phase Transition"
Kais
Entropy 2024, 26, 230 DOI#10.3390/e26030230
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Random projection using random quantum circuits
Keerthi Kumaran, Manas Sajjan, Sangchul Oh, and Sabre Kais
Phys. Rev. Research 6, 013010
DOI: 10.1103/PhysRevResearch.6.013010
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2023
Dimensionality reduction with variational encoders based on subsystem purification
Raja Selvarajan, Manas Sajjan, Travis S. Humble, and Sabre Kais
Mathematics 11 (22), 4678 (2023)
DOI: 10.3390/math11224678
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Federated quanvolutional neural network: a new paradigm for collaborative quantum learning
Amandeep Singh Bhatia, Sabre Kais, and Muhammad Ashraful Alam
Quantum Science and Technology, Volume 8, Number 4
DOI: 10.1088/2058-9565/acfc61
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Physics-Inspired Quantum Simulation of Resonating Valence Bond States - A Prototypical Template for a Spin-Liquid Ground State
Manas Sajjan, Rishabh Gupta, Sumit Suresh Kale, Vinit Singh, Keerthi Kumaran, and Sabre Kais
J. Phys. Chem. A 2023, XXXX, XXX, XXX-XXX
DOI: 10.1021/acs.jpca.3c05172
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Mapping Molecular Hamiltonians into Hamiltonians of Modular cQED Processors
Ningyi Lyu, Alessandro Miano, Ioannis Tsioutsios, Rodrigo G. Cortiñas, Kenneth Jung, Yuchen Wang, Zixuan Hu, Eitan Geva, Sabre Kais, and Victor S. Batista
J. Chem. Theory Comput. XXXX, XXX, XXX-XXX
DOI: 10.1021/acs.jctc.3c00620
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Cutoff phenomenon and entropic uncertainty for random quantum circuits
Sangchul Oh and Sabre Kais
Electronic Structure 5, 035004
DOI 10.1088/2516-1075/acf2d3
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Quantum Machine Learning Predicting ADME-Tox Properties in Drug Discovery
Amandeep Singh Bhatia, Mandeep Kaur Saggi, and Sabre Kais
J. Chem. Inf. Model. XXXX, XXX, XXX−XXX
DOI: 10.1021/acs.jcim.3c01079
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Foray into the topology of poly-bi-[8]-annulenylene
Varadharajan Muruganandam, Manas Sajjan and Sabre Kais
Nat Sci. 2023;e20230015.
DOI: 10.1002/ntls.20230015
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Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations
Yuchen Wang, Ellen Mulvihill, Zixuan Hu, Ningyi Lyu, Saurabh Shivpuje, Yudan Liu, Micheline B. Soley, Eitan Geva, Victor S. Batista, and Sabre Kais
J. Chem. Theory Comput. 2023, 19, 15, 4851–4862
DOI: 10.1021/acs.jctc.3c00316
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Toward perturbation theory methods on a quantum computer
Junxu Li, Barbara A. Jones and Sabre Kais
Li et al., Sci. Adv. 9, eadg4576 (2023)
DOI: 10.1126/sciadv.adg4576
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Analogy between Boltzmann Machines and Feynman Path Integrals
Srinivasan S. Iyengar and Sabre Kais
J. Chem. Theory Comput.
DOI: 10.1021/acs.jctc.3c00187
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Measurement-Induced Nonlocality for Observers Near a Black Hole
Adam Z. Kaczmarek, Dominik Szczesniak and Sabre Kais
Universe 2023, 9, 199
DOI: 10.3390/universe9040199
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The unitary dependence theory for characterizing quantum circuits and states
Zixuan Hu and Sabre Kais
Commun. Phys. 2023, 6:68
DOI: 10.1038/s42005-023-01188-y |
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Characterizing quantum circuits with qubit functional configurations
Zixuan Hu and Sabre Kais
Nat.Sci.Rep. 2023, 13, 5539
DOI: 10.1038/s41598-023-31980-3
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Photonic Realization of Qudit Quantum Computing
Yuchen Wang, Zixuan Hu, and Sabre Kais
Photonic Quantum Technologies: Science and Applications (WILEY-VCH 2023 )
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Dimension Reduction and Redundancy Removal through Successive Schmidt Decompositions
Ammar Daskin, Rishabh Gupta and Sabre Kais
Appl. Sci. 2023, 13, 3172
DOI: 10.3390/app13053172
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Imaginary components of out-of-time-order correlator and information scrambling for navigating the learning landscape of a quantum machine learning model
Manas Sajjan, Vinit Singh, Raja Selvarajan and Sabre Kais
PHYSICAL REVIEW RESEARCH 5, 013146 (2023)
DOI: 10.1103/PhysRevResearch.5.013146
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Comparison of quantum advantage experiments using random circuit sampling
Sangchul Oh and Sabre Kais
PHYSICAL REVIEW A 107, 022610 (2023)
DOI: 10.1103/PhysRevA.107.022610
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Quantum Simulation of the Radical Pair Dynamics of the Avian Compass
Yiten Zhang, Zixuan Hu, Yuchen Wang and Sabre Kais
J. Phys. Chem. Lett. 2023, 14, 832−837
DOI: 10.1021/acs.jpclett.2c03617
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2022
Magnetic Phases of Spatially-Modulated Spin-1 Chains in Rydberg Excitons: Classical and Quantum Simulations
Manas Sajjan, Hadiseh Alaeian and Sabre Kais
J. Chem. Phys. 157, 224111 (2022)
DOI: 10.1063/5.0128283
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Variational approach to quantum state tomography based on maximal entropy formalism
Rishabh Gupta, Manas Sajjan, Raphael D. Levine and Sabre Kais
Phys. Chem. Chem. Phys., 2022, 24, 28870
DOI: 10.1039/d2cp04493e
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Realization of Heisenberg models of spin systems with polar molecules in pendular states
Wenjing Yue, Qi Wei, Sabre Kais, Bretislav Friedrich and Dudley Herschbach
Phys. Chem. Chem. Phys., 2022, 24, 25270
DOI: 10.1039/d2cp00380e
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Statistical analysis on random quantum circuit sampling by Sycamore and Zuchongzhi quantum processors
Sangchul Oh and Sabre Kais
PHYSICAL REVIEW A 106, 032433 (2022)
DOI: 10.1103/PhysRevA.106.032433
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Finite-Size Scaling on a Digital Quantum Simulator Using Quantum Restricted Boltzmann Machine
Bilal Khalid, Shree Hari Sureshbabu, Arnab Banerjee and Sabre Kais
Front. Phys. 10:915863. (2022)
DOI: 10.3389/fphy.2022.915863
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Statistical Properties of Bit Strings Sampled from Sycamore Random Quantum Circuits
Sangchul Oh and Sabre Kais
J. Phys. Chem. Lett. 2022, 13, 7469−7475
DOI: 10.1021/acs.jpclett.2c02045
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Quantum machine learning for chemistry and physics
Manas Sajjan, Junxu Li, Raja Selvarajan, Shree Hari Sureshbabu, Sumit Suresh Kale, Rishabh Gupta, Vinit Singh and Sabre Kais
Chemical Society Reviews, 2022, 51, 6475 (Advance Article)
DOI: 10.1039/D2CS00203E
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A general quantum algorithm for open quantum dynamics demonstrated with the Fenna-Matthews-Olson complex
Zixuan Hu, Kade Head-Marsden, David A. Mazziotti, Prineha Narang and Sabre Kais and Sabre Kais
Quantum 6, 726 (2022)
DOI: 10.22331/q-2022-05-30-726
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Quantum cluster algorithm for data classification
Junxu Li and Sabre Kais
Materials Theory volume 5, Article number: 6 (2021)
DOI: 10.1186/s41313-021-00029-1
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Front Cover: The Quantum Condition Space (Adv. Quantum Technol. 4/2022)
Zixuan Hu and Sabre Kais
Adv. Quantum Technol. 2022, 2100 158
DOI: 10.1002/qute.202270041
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Geometrical picture of the electron–electron correlation at the large-D limit
Kumar J.B. Ghosh, Sabre Kais and Dudley R. Herschbach
Phys. Chem. Chem. Phys., 2022, 24, 9298-9307
DOI: 10.1039/d2cp00438k
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Variational Quantum Circuits to Prepare Low Energy Symmetry States
Raja Selvarajan, Manas Sajjan and Sabre Kais
Symmetry 2022, 14, 457
DOI: 10.3390/sym14030457
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The Quantum Condition Space
Zixuan Hu and Sabre Kais
Adv. Quantum Technol. 2022, 2100 158
DOI: 10.1002/qute.202100158
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Relaxation of stationary states on a quantum computer yields a unique spectroscopic fingerprint of the computer’s noise
Scott E. Smart, Zixuan Hu, Sabre Kais and David A. Mazziotti
Communications Physics volume 5, Article number: 28
DOI: 10.1038/s42005-022-00803-8
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2021
Machine learning framework for quantum sampling of highly constrained, continuous optimization problems
Blake Wilson, Zhaxylyk A. Kudyshev, Alexander V. Kildishev, Sabre Kais, Vladimir M. Shalaev and Alexandra Boltasseva
Appl. Phys. Rev. 8, 041418 (2021)
DOI: 10.1063/5.0060481
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A quantum encryption design featuring confusion, difusion, and mode of operation
Zixuan Hu and Sabre Kais
Scientific Reports 11, 23774 (2021)
DOI: 10.1038/s41598-021-03241-8
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Statistical approach to quantum phase estimation
Alexandria J Moore, Yuchen Wang, Zixuan Hu, Sabre Kais and Andrew M Weiner
New J. Phys. 23 113027 (2021)
DOI: 10.1088/1367-2630/ac320d
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Constructive Quantum Interference in Photochemical Reactions
Sumit Suresh Kale, Yong P. Chen and Sabre Kais
J. Chem. Theory Comput. 2021,
DOI: 10.1021/acs.jctc.1c00826
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Quantum Machine-Learning for Eigenstate Filtration in Two Dimensional Materials
Manas Sajjan, Shree Hari Sureshbabu and Sabre Kais
J. Am. Chem. Soc. 2021,
DOI: 10.1021/jacs.1c06246
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Prime factorization using quantum variational imaginary time evolution
Raja Selvarajan, Vivek Dixit, Xingshan Cui, Travis S. Humble & Sabre Kais
Nature Sci Rep 11, 20835 (2021)
DOI: 10.1038/s41598-021-00339-x
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A universal quantum circuit design for periodical functions
Junxu Li and Sabre Kais
New J. Phys. 23 103022,
DOI: 10.1088/1367-2630/ac2cb4
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Statistical Correlation Between Quantum Entanglement and Spin–Orbit Coupling in Crossed Beam Molecular Dynamics
Junxu Li, Manas Sajjan, Sumit Suresh Kale, and Sabre Kais
Adv. Quantum Technol. 2100098.
DOI: 10.1002/qute.202100098
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Dimensional Interpolation for Random Walk
Kumar J. B. Ghosh, Sabre Kais and Dudley R. Herschbach
J. Phys. Chem. A , DOI: 10.1021/acs.jpca.1c05551
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Implementation of Quantum Machine Learning for Electronic Structure Calculations of Periodic Systems on Quantum Computing Devices
Sureshbabu, Shree Hari; Sajjan, Manas; Oh, Sangchul; Kais, Sabre
J. Chem. Inf. 61, 2667-2674 (2021)
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Convergence of a Reconstructed Density Matrix to a Pure State Using the Maximal Entropy Approach
Rishabh Gupta, Raphael D. Levine and Sabre Kais
J. Phys. Chem. A
DOI: 10.1021/acs.jpca.1c05884
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Time-Domain Line-Shape Analysis from 2D Spectroscopy to Precisely Determine Hamiltonian Parameters for a Photosynthetic Complex
Rolczynski, Brian; Yeh, Shu-Hao; Navotnaya, Polina; Kais, Sabre; et al.
J. Phys. Chem. B, 125, 2812-2820 (2021)
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Training Restricted Boltzmann Machines with a D-Wave Quantum Annealer
Vivek Dixit, Raja Selvarajan, Muhammad A. Alam, Travis S. Humble and Sabre Kais
Front. Phys. 9:589626.
DOI: 10.3389/fphy.2021.589626
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Practical quantum encryption protocol with varying encryption configurations
Junxu Li, Zixuan Hu, and Sabre Kais
PHYSICAL REVIEW RESEARCH 3, 023251 (2021)
DOI: 10.1103/PhysRevResearch.3.023251
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Training a Quantum Annealing Based Restricted Boltzmann Machine on Cybersecurity Data
Dixit, Vivek; Selvarajan, Raja; Kais, Sabre; et. al.
IEEE Transactions on Emerging Topics in Computational Intelligence, 10.1109/TETCI.2021.3074916 (2021)
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Quantum Computing for Atomic and Molecular Resonances
Bian, Teng; Kais, Sabre
J. Chem. Phys. 154, 194107, doi.org?10.1063/5.0040477 (2021)
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Enhancement of Photovoltaic Current through Dark States in Donor-Acceptor Pairs of Tungsten-Based Transition Metal Di-Chalcogenides
Roy, Sayan; Hu, Zixuan; Bermel, Peter; Kais, Sabre
Adv. Funct. Mater, 2100387, DOI: 10:1002/adfm.202100387 (2021)
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Dimensional Interpolation for Metallic Hydrogen
Ghosh, Kumar, J.B. ; Kais, Sabre; Hershbach, Dudley,R.
Phys. Chem. Chem. Phys. DOI: 10.1039/d0cp05301e (2021)
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Maximal Entropy Approach for Quantum State Tomography
Gupta, Rishabh; Xia, Rongxin; Levine, Raphael; Kais, Sabre
PRX Quantum 2, 010318 (2021)
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Magnetic Flux Noise in Superconducting Qubits and the Gap States Continuum
Szczesniak, Dominik; Kais, Sabre
Nature.com/Scientific Reports, DOI 10.1038/s41598-021-81450 (2021)
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2020
Spin-Momentum Entanglement in a Bose-Einstein Condensate
Sumit Suresh, Kale; Ding, Yijue; Yong, Chen; Friedrich, Bretislav; Kais, Sabre
Phys. Chem. Chem.Phys., 22, 25669-25674 (2020)
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Qudits and High-Dimensional Quantum Computing
Wang, Yuchen; Hu, Zixuan; Sanders, Barry; Kais, Sabre
Frontiers in Physics, 8, 589504, DOI:10.3389/fphy.2020.589504 (2020)
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Qubit Coupled Cluster Singles and Doubles Variational Quantum Eigensolver Anasatz for Electronic Structure Calculations
Xia, Rongxia; Kais, Sabre
Quantum Sci. Technol. 6, 015001, DOI.org/10.1088/2058-9565/abbc74 (2021)
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Characterization of Quantum States Based on Creation Complexity
Hu, Zixuan; Kais, Sabre
Advanced Quantum Technologies, 2000043, DOI: 10.1002/qute.202000043 (2020).
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Unorthodox Dimensional Interpolations for He, Li, Be Atoms and Hydrogen Molecule
Ghosh, Kumar, J.B. ; Kais, Sabre; Hershbach, Dudley,R.
Frontiers in Physics, 8, 331 DOI:10.3389/fphy.2020.00331 (2020).
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Hybrid Quantum-Classical Neural Network for Calculating Ground State Energies of Molecules
Xia, Rongxia; Kais, Sabre
Entropy, Vol 11, 8, DOI 10.3390/e22080828 (2020).
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Gap States and Valley-Spin Filtering in Transition Metal Dichalcogenide Monolayers
Szczesniak, Dominik; Kais, Sabre
Phys RevB, 101, 115423 DOI:10.1103/PhysRevB.101.115423 (2020)
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Introducing Open Boundary Conditions in Modeling Nonperiodic Materials and Interfaces: The Impact of the Periodicity Assumption
Charles, James; Kais, Sabre; Kubis, Tillmann
ACS Materials Lett. 2, 247-253 https://dx.doi.org/10.1021/acsmaterialslett.9b00523 (2020)
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Bifacial Schottky-Junction Plasmonic-Based Solar Cell
M. Ahmer, S. Rashkeev, N Tabet, F. Alharbi, S. Kais
Energy Technology, https://doi.org/10.1002/ente.201901280 (2020)
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Quantum Algorithm for Evolving Open Quantum Dynamics on Quantum Computing Devices
Zixuan Hu, Rongxin Xia, Sabre Kais
Sci Rep 10, 3301 https://doi.org/10.1038/s41598-020-60321-x (2020)
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2019
Content-Aware Quantum Simulation of a Matrix Stored in Quantum Memory
Daskin, Ammar; Bian, Teng; Xia, Rongxin; Kais, Sabre
Quantum Information Processing, 18, 357, DOI:10.1007/s11128-019-2469-1 (2019)
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Quantum Phase Estimation with Time-Frequency Qudits in a Single Photon
Wang, Yuchen; Weiner, Andrew; Kais, Sabre; et. al
Adv: Quantum Technol., 1900074, DOI: 10.1002/qute.201900074, (2019)
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Entanglement Classifier in Chemical Reactions
Li, Junxu; Kais, Sabre
Sci, Adv., 5: 5283 (2019)
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Enhancing the Electronic Dimensionality of Hybrid Organic-Inorganic Frameworks by Hydrogen Bonded Molecular Cations
Fedwa El-Mellouhi, Sabre Kais, et. al
Materials Horizons COMMUNICATION, DOI:10.1039/c8mh01436a (2019)
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Quantum Computing Methods for Electronic States of the Water Molecule
Bian, T., Murphy, D., Xia, R., Daskin, A., Kais, S.
Molecular Physics, DOI:10.1080/00268976.2019.1580392 (2019)
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Role of Water on the Rotational Dynamics of the Organic Methylammonium Cation: A First Principles Analysis
Hoehn, R.D., Francisco, J.S., Kachmar, A.
Scientific Report, 9; 668, DOI:10.1038/s41598-018-36900-4
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Orientational Dynamics of Transition Dipoles and Exciton Relaxation in LH2 from Ultrafast Two-Dimensional Anisotropy
Massey, Sara; Ting, Po-Chieh; Yeh, Shu-Hao, Kais, Sabre; et. al.
J. Phys. Chem Lett. 10, 270-277, DOI:10.1021/acs.jppclett.8b.03223 (2019)
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2018
Double-Excitation Manifold's Effect on Exciton Transfer Dynamics and the Efficiency of Coherent Light Harvesting
Hu, Zixuan; Engel, Gregory; Kais, Sabre
Phys. Chem. Phys. 20, 30032 (2018)
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Quantum Annealing for Prime Factorization
Jiang, S.; Britt, K.; McCaskey, A.J.: Humble, T.: Kais, S.
Scientific Reports 8:17667 DOI:10.1038/s41598-018-36058-z (2018)
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Probing Entropic Uncertainty Relations Under a Two-atom System Coupled with Structured Bosonic Reservoirs
Wang, Dong; Hoehn, Ross; Kais, Sabre; et.al.
Quantum Information Processing, 17:335 https://doi.org/10.1007/s11128-018-2100-x (2018)
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A Generalized Circuit for the Hamiltonian Dynamics Through the Truncated Series
Daskin, Ammar; Kais, Sabre
Quantum Information Processing, DOI: 10.1007/s11128-018-2099-z (2018)
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Direct Application of the Phase Estimation Algorithm to Find the Eigenvalues of the Hamiltonians
Daskin, Ammar; Kais, Sabre
Chemical Physics, https://doi.org/10.1016/j.chemphys.2018.01.002 (2018)
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Effects of Hawking Radiation on the Entropic Uncertainty in a Schwarzschild Space‐Time
Wang, Dong; Shi, Wei-Nan; Hoehni, Ross: Kais, Sabre; et. al.
Ann.Phys. (Berlin) 530, 1800080 DOI:10.1002/andp/201800080 (2018)
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Quantum Machine Learning for Electronic Structure Calculations
Xia, Rongxin; Kais, Sabre
Nature Comm. 9, 4195 DOI:10.1038/s41467-018-06598-z (2018)
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Pendular Alignment and Strong Chemical Binding are Induced in Helium Dimer Molecules by Intense Laser Fields
Wei, Qi; Yasuikel, Tomokazu; Herschbachi, Dudley: Kais, Sabre
PNAS Latest Articles, 1-9, DOI:10.1073/1810102115 (2018)
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Elucidation of Near-Resonance Vibronic Coherence Lifetimes by Nonadiabatic Electronic-Vibrational State Character Mixing
Yeh, Shu-Hao, Hoehn, R.D.,Kais, S., et.al.;
PNAS Latest Articles, DOI:10.1073/1701390115 (2018)
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Canonical Schottky barrier heights of transition metal dichalcogenide monolayers in contact with a metal
Szczesniak, D., Hoehn, R.D., Kais, S.
PhysRevB,97,195315, DOI:10.1103/PhysRevB.97.195315 (2018)
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Connecting Bright and Dark States Through Accidental Degeneracy Caused by Lack of Symmetry
Hu,Z; Engel, G.S.; Kais, S.
J. Chem. Phys., 148, 204307, DOI:10.1063/1.5026116 (2018)
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Improved Photoactivity of Pyroxene Silicates by Cation Substitutions
Legesse, M.; Park, H.; El Mellouhi, F.; Kais, S.; et. al.
ChemPhysChem 19, 943-953, DOI:10.1002/cphc.20171155 (2018)
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Tuning the Stereoselectivity and Solvation Selectivity at Interfacial and Bulk Environments by Changing Solvent Polarity: Isomerization of Glyoxal in Different Solvent Environments
Zhong, J.; Carignano, M.; Francisco, J.; Kais, S.; et.al.
J. Am. Chem. Soc. 140, 5535-5543, (2018)
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Molecules Enhanced by Electromagnetic Fields
Friedrich, B; Herschbach, D; Kais, S; Schmidt, B
SciTech Europa, Quarterly, 27 (2018)
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Electronic Structure Calculations and the Ising Hamiltonian
Xia, Rongxin; Bian, Teng; Kais, Sabre
J. Phys. Chem. B, 122, 3384-3395 (2018)
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Status of the Vibrational Theory of Olfaction
Hoehn, R.H.; Nichols, D.E.; Neven, H.; Kais, S.
Frontiers in Physics, 6,25 DOI: 10.3389/fphy.2018.00025 (2018)
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Dark States and Delocalization: Competing Effects of Quantum Coherence on the Efficiency of Light Harvesting Systems
Hu, Zixuan; Engel, Gregory; Alharbi, Fahhad; Kais, Sabre
The Journal of Chemical Physics, 148, 064304, doi.org/10.10631/1/5009903 (2018)
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Correlated Protein Environments Drive Quantum Coherence Lifetimes in Photosynthetic Pigment-Protein Complexes
Rolczynski, B.; Zheng, H.; Kais, S, et. al.
Chem 4, 139-149, doi.org/10.1016/j.chempr.2017.12.009 (2018)
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2017
Interfaces Select Specific Stereochemical Conformations: The Isomerization of Glyoxal at the Liquid Water Interface
Zhu, CQ; Zeng, XC; Kais, S; et.al.
Journal of the American Chemical Society, 139; 1; DOI: 10.1021/jacs.6b10208 (2017)
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Efficient Optimization of Perturbative Gadgets
Cao, YD.; Kais, S.
Quantum Information & Computation; 17, 9-10, 779-809 (2017)
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Cation Effect on Hot Carrier Cooling in Halide Perovskite Materials
Madjet, M. E.; Berdiyorov, G. R.; Kais, S.; et. al.
J. Phys. Chem. Lett.,8 (18), 4439–4445 DOI:10.1021/acs.jpclett.7b01732 (2017)
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Plasmonically Enhanced Schottky Photovoltaic Devices
Farhat, M ; Kais, S ; Alharbi, FH
SCIENTIFIC REPORTS 7, 14253, DOI: 10.1038/s41598-017-14528-0, (2017)
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Effect of Time-Delayed Feedback on the Interaction of a Dimer System with its Environment
Farhat, M; Alharbi, F.H.; Kais, S.
Scientific Reports 7:15468, DOI:10.1038/s41598-017-15185-z, (2017)
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Experimental Evaluation of the Generalized Vibrational Theory of G Protein-Coupled Receptor Activation
Hoehn, RD.; Nichols, DE.; Kais, S. et.al.
Proceedings of the National Academy of Sciences of the United States of America; 114, 22 5595-5600; DOI: 202073/pnas.1618422114 (2017)
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Ring flipping in Heterobimetallic Re-Ir Complexes and its Effect on Structural Isomerism: Dynamic NMR and DFT Study
Pichaandi, KR.; Kabalan, L.; Kais, S.; Abu-Omar, M.
Journal of Organometallic Chemistry; 843, 62-65; DOI: 10.1016/j.jorganchem.2017.05.030 (2017)
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Entropic uncertainty relations for Markovian and non-Markovian processes under a structured bosonic reservoir
Wang, D.; Huang, AJ.; Hoehn, RD.; Kais, S.; et.al
Scientific Reports; 7, 1066, DOI: 10.1038/s41598-017-01094-8 (2017)
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Solar Cell Materials by Design: Hybrid Pyroxene Corner-Sharing VO4 Tetrahedral Chains
El-Mellouhi, F.; Akande, A.; Kais, S.; et. al.
Chemsuschem; 10, 9, 1931-1942; DOI: 10.1002/cssc.201700121 (2017)
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Kinetic Energy Density for Orbital-Free Density Functional Calculations by Axiomatic Approach
Alharbi, FH.; Kais, S.
International Journal of Quantum Chemistry; 117, 12, DOI: 10.1002/qua.25373 (2017)
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Pursuit of the Kramers-Henneberger Atom
Wei, Q.; Wang, Px.; Kais, S: et. al.
Chemical Physics Letters; 683 240-246; DOI: 10.1016/j.cplett.2017.02.017 (2017)
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Mechanism of Me-Re Bond Addition to Platinum(II) and Dioxygen Activation by the Resulting Pt-Re Bimetallic Center
Pichaandi, KR.; Kabalan, L.; Kais, S.; et. al.
Inorganic Chemistry; 56, 4,2145-2152; DOI: 10.1021/acs.inorgchem.6b02801 (2017)
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An Ancilla-Based Quantum Simulation Framework for Non-Unitary Matrices
Daskin, Ammar; Kais, Sabre
Quantum Information Processing: 16:1 DOI: 10.1007/s11128-016-1452-3 (2017)
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2016
Interfaces Select Specific Stereochemical Conformations: The Isomerization of Glyoxal at the Liquid Water Interface
Zhu, Chongqin, Cheng Zheng, Xiao, Kais, Sabre; et al
JACS: 6b, 10208, DOI: 10.1021 (2016)
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Dark States Enhance the Photocell Power via Phononic Dissipation
Zhang, Yiteng, Wirthwein, Aaron, Kais, Sabre; et al
Royal Society of Chemistry: c6cp, 06098f, DOI: 10.1039/c6cp06098f (2016)
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Quantum Computation Using Arrays of N Polar Molecules in Pendular States
Wie, Qi, Cao, Yudong, Friedrich, Bretislav, Kais, Sabre; et al
ChemPhysChem: 17, 1-10, DOI: 10.1002/cphc.201600781 (2016)
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Reduced Work Function of Graphene by Metal Adatoms
Legesse, Merid, El Mellouhi, Fedwa, Bentria, El Tayeb, Kais, Sabre; et al
Applied Surface Science: 394, 98-107, DOI: 10.1016/j.apsusc.2016.10.097 (2016)
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Hydrogen Bonding: a Mechaniam for Tuning Electronic and Optical Properties of Hybrid Organic-Inorganic Frameworks
El Mellouhi, Fedwa, Bentria, El Tayeb, Kais, Sabre; et al
NPJ Computational Materials: 2, 16035, DOI: 10.1038/njpcompumats.1016.35 (2016)
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Solving Set Cover with Pairs Problem Using Quantum Annealing
Cao, Youdong, Jiang, Shuxian, Perouli, Debbie, Kais, Sabre
Scientific Reports: 6, 33957, DOI: 10.1038/srep33957 (2016)
Link to PDF
Hydrogen Bonding and Stability of Hybrid Organic–Inorganic Perovskites
El-Mellouhi, Fedwa, Marzouk, Asma, Bentria, El Tayeb, Kais, Sabre; et al
ChemSusChem: 9, 1-9, DOI: 10.1002/cssc.201600864 (2016)
Link to PDF
Analytic ab Initio-based Molecular Interaction Potential for the BrO⋅H2O complex
Hoehn, Ross, D., Yeole, Sachin D., Francisco, Joseph S., Kais, Sabre
Journal of Chemical Physics, 144, 204121 DOI: 10.1063/1.4950956 (2016)
Link to PDF
Enhancing Intrinsic Stability of Hybrid Perovskite Solar Cell by Strong, yet Balanced, Electronic Coupling
El-Mellouhi, Fedwa, Bentria, El Tayeb, Rashkeev, Sergey, N., Alharbi, Fahhad, H., Kais, Sabre
Scientific Reports: 6, 30305 DOI: 10.1038/30305 (2016)
Link to PDF
Hydrogen Bonding and Orientation Effects on the Accommodation of Methylamine at the Air-water Interface
Hoehn, Ross, D., Carignano, Marcelo A., Kais, Sabre; et al
Journal of Chemical Physics, 144, 214701 DOI: 10.1063/1.4950951 (2016)
Link to PDF
Convergent Sum of Gradient Expansion of the Kinetic-Energy Density Functional up to the Sixth Order Term Using Padé Approximant
Sergeev, A., Alharbi, F.H. Jovanovic, R., Kais, Sabre
Journal of Physics, Conf. Ser., 707, 1:012011, DOI: 10.1088/1742-6596 (2016)
Link to PDF
Optoelectronics Properties Tunability by Controlled Deformation
Alharbi1, F.H., Serra1, P., Carignano, M.A., Kais, Sabre
Journal of Physics, Conf. Ser., 707, 1:012010, DOI: 10.1088/1742-6596 (2016)
Link to PDF
Efficient Remote Preparation of Four-Qubit Cluster-Type Entangled States with Multi-Party Over Partially Entangled Channels
Wang, Dong, Hoehn, Ross, D., Ye, Liu, Kais, Sabre
International Journal of Theoretical Physics : 55, 3454-3466, DOI: 10.10007/s10773-016-2973-4 (2016)
Link to PDF
Singularity of the Time-Energy Uncertainty in Adiabatic Perturbation and Cycloids on a Bloch Sphere
Oh, Sangchul, Hu, Xuedong, Nori, Franco, Kais, Sabre
Scientific Reports, 6, 20824 DOI: 10.1038 (2016)
Link to PDF
Mechanism of Isomerization and Methyl Migration in Heterobimetallic Rhenium−Iridium Complexes: Experimental and DFT Study
Pichaand, Kothand Rama, Kabalan, L., Abu-Omar, Mahdi, Kais, Sabre
American Chemical Society, Organometallics DOI: 10.1021 (2016)
Link to PDF
Enhancing the Carrier Thermalization Time in Organometallic Perovskites by Halide Mixing
Madjet, M.E., Akimov, A.V.; Kais, Sabre; et al
Physical Chemistry Chemical Physics, DOI: 10.1039/C5CP06603D (2016)
Link to PDF
Prospects for Quantum Computing with an Array of Ultracold Polar Paramagnetic Molecules
Karra, Malikarjun, Sharma, Ketan, Friedrich, Bretislav, Kais, Sabre
Journal of Chemical Physics, 144, 094301 DOI: 10.1063/1.4942928 (2016)
Link to PDF
2015
Reducing the Number of Ancilla Qubits and the Gate Count Required for Creating Large Controlled Operations
Brown, Katherine L.; Daskin, Anmer; Kais, Sabre; et al
Quantum Information Processing, 14, 891-899 (2015)
Link to article
The Quantum Chemical Search for Novel Materials and the Issue of Data Processing: The InfoMol Project
Luthi, Hans, P., Heinen, Stefan; Kais, Sabre; et al
Journal of Computational Science, 418 (2015)
Link to article
An Efficient Discriptor Model for Designing Materials for Solar Cells
Alharbi, Fahhad, H., Rashkeev, Sergey, N.; Kais, Sabre; et al
Nature, NPJ Computational Materials, 1, 15003 (2015)
Link to PDF
Domain Walls Conductivity in Hybrid Organometallic Perovskites and Their Essential Role in CH3NH3PbI3 Solar Cell High Performance
Rashkee, Sergey, N; El-Mellouhi, Fedwa.; Kais, Sabre; Alharbi, Fahhad, H; et al
Scientific Reports, 5, 11467 (2015)
Link to article
The Radical Pair Mechanism and the Avian Chemical Compass: Quantum Coherence and Entanglement
Zhang, Yiteng.; Berman, Gennady, P; Kais, Sabre; et al
International Journal of Quantum Chemistry, 115, 15 (2015)
Link to article
Revealing the Role of Organic Cations in Hybrid Halide Perovskite CH3NH3PbI3
Motta, Carlo; El-Mellouhi, Fedwa; Kais, Sabre; et al
Nature Communications, 6, 7026 (2015)
Link to article
Neuroreceptor Activation by Vibration-Assisted Tunneling
Hoehn, Ross D.; Nichols, David; Kais, Sabre; et al
Scientific Reports, 5, 9990 (2015)
Link to article
Effect of Halide Mixing on the Electronic Transport Properties of Organometallic Perovskites
Berdiyorov, G.R., El-Mellouhi, F.; Kais, Sabre; et al
Solar Energy Materials & Solar Cells, DOI: 10.1016 (2015)
Link to article
Generalized Remote Preparation of Arbitrary m-qubit Entangled States via Genuine Entanglements
Wang, Dong, Hoehn, Ross, D; Kais, Sabre; Ye, Liu; et al
Entropy, 4, 1755-1774 (2015)
Link to article
Theoretical Limits of Photovoltaics Efficiency and Possible Improvements by Intuitive Approaches Learned from Photosynthesis and Quantum Coherence
Alharbi, Fahhad H.; Kais, Sabre
Renewable & Sustainable Energy Reviews, 43, 1073-1089 (2015)
Link to article
Delocalized Quantum States Enhance Photocell Efficiency
Zhang, Yiteng; Oh, Sangchul; Alharbi, Fahhad H; et al
Physical Chemistry Chemical Physics: PCCP, 17, 5743-5750 (2015)
Link to article
Hamiltonian Gadgets with Reduced Resource Requirements
Cao, Yudong; Babbush, Ryan; Biamonte, Jacob; et al.
Physical Review A, 91, 2315-2315 (2015)
Link to article
2014
Harmonic Generation from Free Electron in Intense Laser Fields: Classical Versus Semi-Classical Theory
Li, A. K.; Wang, J. X.; Ren, N.; Kais, Sabre
Laser Physics, 24, 015302 (2014)
Link to article
Transitionless Driving on Adiabatic Search Algorithm
Oh, Sangchul; Kais, Sabre
Journal of Chemical Physics, 141, 224108 (2014)
Link to article
Simulated Two-Dimensional Electronic Spectroscopy of the Eight-Bacteriochlorophyll FMO Complex
Yen, Shu-Hao; Kais, Sabre
Journal of Chemical Physics, 141, 34105-34105 (2014)
No pdf available
An Agent-based Model Approach to Multi-phase Life-cycle for Contact Inhibited, Anchorage Dependent Cells
Hoehn, Ross. D.; Schreder, Ashley. M.; Al Rez, Mohammed Fayez;
Interdisciplinary Sciences-Computational Life Sciences, 6, 312-322 (2014)
Link to article
A Universal Quantum Circuit Scheme for Finding Complex Eigenvalues
Daskin, Anmer; Grama, Ananth; Kais, Sabre
Quantum Information Processing, 13, 333-353 (2014)
Link to article
Sensitivity and Entanglement in the Avian Chemical Compass
Zhang, Yiteng; Berman, Gennady P.; Kais, Sabre
Physical Review E, 90, 4, 042707 (2014)
Link to article
Entanglement Dynamics of Two Two-Level Atoms Interacting Nonsymmetrically with a Single-Mode Quantized Field
Ma, Y.; Wang, J.; Xu, X.; et al
Indian Journal of Physics, 88, 12, 1271-1274 (2014)
Link to article
Quantum Random State Generation with Predefined Entanglement Constraint
Daskin, Anmer; Grama, Ananth; Kais, Sabre
International Journal of Quantum Information, 12, 5, 1450030 (2014)
Link to article
Multiple Network Alignment on Quantum Computers
Daskin, Anmer; Grama, Ananth; Kais, Sabre
Quantum Information Processing, 13, 2653-2666 (2014)
Link to article
A Density-Matrix Renormalization Group Study of a One-Dimensional Incommensurate Quantum Frenkel-Kontorova Model
Ma, Yongjun; Wang, Jiaxiang; Xu, Xinye; et al.
Journal of the Physical Society of Japan, 83, 9, 094605 (2014)
Link to article
Quadratic Constrained Mixed Discrete Optimization with an Adiabatic Quantum Optimizer
Chandra, Rishabh; Jacobson, N. Tobias; Moussa, Jonathan E; Sabre Kais
Physical Review A, 90, 1, 012308 (2014)
Link to article
Infrared-dressed Entanglement of Cold Open-Shell Polar Molecules for Universal Matchgate Quantum Computing
Herrera, Felipe; Cao, Yudong; Kais, Sabre
New Journal of Physics, 16, 075001 (2014)
Link to article
Error Analysis of the Density-Matrix Renormalization Group Algorithm for a Chain of Harmonic Oscillators
Ma Yong-Jun; Wang Jia-Xiang; Xu Xin-Ye; Sabre Kais
Chinese Physics Letters, 31, 060501(2014)
Link to article
Time-dependent density functional Theory of Coupled Electronic Lattice Motion in Quasi-two-dimensional Crystals
Nazarov, Vladimir U.; Alharbi, Fahhad; Fisher, Timothy S; Kais, Sabre
Physics Review B, 89, 195423 (2014)
Link to article
Influence of the Intensity Gradient Upon HHG from Free Electrons Scattered by an Intense Laser Beam
Li, Ankang; Wang, Jiaxiang; Ren, Na; et al.
Applied Physics B-Lasers and Optics, 117, 1, 95-101(2014)
Link to article
Experimental Realization of Quantum Algorithm for Solving Linear Systems of Equations
Pan, Jian; Cao, Yudong; Yao, Xiwei; Kais, Sabre
Physical Review A, 89, 022313 (2014)
Link to article
Using Quantum Games to Teach Quantum Mechanics, Part 2
Hoehn, Ross D.; Mack, Nick; Kais, Sabre
Journal of Chemical Education, 91, 423-427 (2014)
Link to article
Using Quantum Games to Teach Quantum Mechanics, Part 1
Hoehn, Ross D.; Mack, Nick; Kais, Sabre
Journal of Chemical Education, 91, 417-422 (2014)
Link to article
2013
Quantum confinement and negative heat capacity
Pablo Serra, Marcelo Carignano, Fahhad H. Alharbi, Sabre Kais
Europhysics letters.Vol.104(1),p.16004 (2013)
Link to PDF
Degree Distribution in Quantum Walks on Complex Networks
Mauro Faccin, Tomi Johnson, Jacob Biamonte, Sabre Kais, Piotr Migdal
Physical Review X, 3, 041007 (2013)
Link to PDF
The interference effect of laser-assisted bremsstrahlung emission in Coulomb fields of two nuclei
Ankang Li, Jiaxiang Wang, Na Ren, Pingxiao Wang, Wenjun Zhu, Xiaoya Li, Ross D. Hoehn, Sabre Kais
Journal of Applied Physics, 114, 124904 (2013)
Link to PDF
Manipulation of molecules with electromagnetic fields
Mikhail Lemeshko, Roman Krems, John M. Doyle, Sabre Kais
Molecular Physics, 111:12-13, 1648-1682 (2013)
Link to PDF
Quantum coherence and entanglement in the avian compass
James Pauls, Yiteng Zhang, Gennady Berman, Sabre Kais
Physical Revew E, 87, 062704 (2013)
Link to PDF
Avalanches in the raise and peel model in the presence of a wall
Edwin Antillon, Birgit Wehefritz-Kaufmann, Sabre Kais
Journal of Physics A-Mathematical and Theoretical, 46, 265001(2013)
Link to PDF
Quantum criticality analysis by finite-size scaling and exponential basis sets
Fahhad H. Alharbi, Sabre Kais
Physcial Review E, 87, 043308 (2013)
Link to PDF
Quantum algorithm and circuit design solving the Poisson equation
Yudong Cao, Anargyros Papageorgiou, Iasonas Petras, Joseph Traub, Sabre Kais
New Journal of Physics, 15, 013021 (2013)
Link to PDF
Implementation of quantum logic gates using polar molecules in pendular states
Jing Zhu, Sabre Kais, Qi Wei, Dudley Herschbach, Bretislav Friedrich
Journal of Chemical Physics, 138, 024104 (2013)
Link to PDF
2012
Universal programmable quantum circuit schemes to emulate an operator
Anmer Daskin, Ananth Grama, Giorgos Kollias, Sabre Kais
Journal of Chemical Physics, 137, 234112 (2012)
Link to PDF
Ground-state stability and criticality of two-electron atoms with screened Coulomb potentials using the B-splines basis set
Pablo Serra, Sabre Kais
Journal of Physics B-Atomic Molecular and Optical Physics, 45, 235003 (2012)
Link to PDF
Population and coherence dynamics in light harvesting complex II (LH2)
Shu-Hao Yeh, Jing Zhu, Sabre Kais
Journal of Chemical Physics, 137, 084110 (2012)
Link to PDF
Multipartite quantum entanglement evolution in photosynthetic complexes
Jing Zhu, Sabre Kais, Alan Aspuru-Guzik, Sam Rodriques, Ben Brock, Peter J. Love
Journal of Chemical Physics, 137, 074112 (2012)
Link to PDF
Scaling Mount Impossible: A Festschrift for Dudley Herschbach PREFACE
Bretislav Friedrich, Sabre Kais, David Mazziotti
Molecular Physics, 110, 1537 (2012)
Link to PDF
Quantum circuit design for solving linear systems of equations
Yudong Cao, Anmer Daskin, Steven Frankel, Sabre Kais
Molecular Physics, 110, 1675-1680 (2012)
Link to PDF
Journal of Chemical Physics, 137, 074112 (2012)
Gehad Sadiek, Qing Xu, Sabre Kais
Physical Review A, 85, 042313 (2012)
Link to PDF
Finite-size scaling for quantum criticality using the finite-element method
Edwin Antillon, Birgit Wehefritz-Kaufmann, Sabre Kais
Physical Reveiew E, 85, 036706 (2012)
Link to PDF
Dimensional scaling treatment with relativistic corrections for stable multiply charged atomic ions in high-frequency super-intense laser fields
Ross D. Hoehn, Jiaxiang Wang, Sabre Kais
Journal of Chemical Physics, 136, 034114 (2012)
Link to PDF
2011
Entanglement of polar symmetric top molecules as candidate qubits
Qi Wei, Sabre Kais, Bretislav Friedrich, Dudley Herschbach
Journal of Chemical Physics, 135, 154102 (2011)
Link to PDF
Engtanglement dynamics of one-dimensional driven spin systems in time-varying magnetic fields
Bedor Alkurtass, Gehad Sadiek, Sabre Kais
Physical Review A 84, 022314 (2011)
Link to PDF
Entanglement for molecules and dipole arrays
Sabre Kais
Abstracts of Papers of the American Chemical Society, 242, 537-PHYS (2011)
No pdf available
Supersymmetry identifies molecular Stark states whose eigenproperties can be obtained analytically
Mikhail Lemeshko, Mustafa Mustafa, SabreKais, Bretislav Friedrich
New Journal of Physics, 13, (2011) 063036
Link to PDF
Dynamics of entanglement in a two-dimensional spin system
Qing Xu, Gehad Sadiek and Sabre Kais
Phys. Rev. A 83, 062312 (2011).
Link to PDF
Supersymmetric factorization yields exact solutions to the molecular Stark-effect problem for stretched states
Mikhail Lemeshko, Mustafa Mustafa, Sabre Kais and Bretislav Friedrich,
Phys. Rev. A 83, 043415 (2011).
Link to PDF
Decomposition of unitary matrices for finding quantum circuits: Application to molecular Hamiltonians
Anmer Daskin and Sabre Kais
J. Chem. Phys. 134, 144112 (2011).
Link to PDF
Decomposition of unitary matrices for finding quantum circuits
Anmer Daskin, Sabre Kais
Abstracts of Papers of the American Chemical Society, 241, 181-PHYS (2011)
No pdf available
Tuning and quenching Entanglement of Dipole Arrays
Qi Wei, Sabre Kais, Bretislav Friedrich, Dudley Herschbach
Abstracts of Papers of the American Chemical Society, 241, 211-PHYS (2011)
No pdf available
Entanglement of polar molecules in pendular states
Qi Wei, Sabre Kais, Bretislav Friedrich and Dudley Herschbcah
J. Chem. Phys. 134, 124107 (2011).
Link to PDF
Group Leaders Optimization
Anmer Daskin and Sabre Kais
Mol. Phys. 109, 761-772 (2011).
Link to PDF
Modified-scaled hierarchical equation of motion approach for the study of quantum coherence in photosynthetic complexes
J. Zhu, S. Kais, P. Rebentrost and A. Aspuru-Guzik
J. Phys. Chem. B 115, 1531-1537 (2011).
Link to PDF
2010
Finite Size Scaling for Criticality of the Schrodinger Equation
Sabre Kais
Solving the Schrdinger equation: has everything been tried, Edited by Paul Popelier, (Imperial College Press, London, in press 2011)
Link to PDF
Communications: Entanglement switch for dipole arrays
Q. Wei, S. Kais, and YP Chen
J. Chem. Phys. 132, 121104 (2010).
Link to PDF
Exact Calculation of Entanglement in a 19-site 2D Spin System
Qing Xu, Sabre Kais, maxim Naumov and Ahmed Sameh
Phys. Rev. A 81, 022324 (2010).
Link to PDF
2009
Simulated Quantum Computation of Global Minima
Jing Zhu, Zhen Huang and Sabre Kais
Molecular Physics, 107, 2015 (2009).
Link to PDF
Comparison study of finite element and basis set methods for finite size scaling
Edwin Antillon, Winton Moy, Qi Wei and Sabre Kais
J. Chem. Phys. 131, 104105 (2009).
Link to PDF
Temperature Dependent Electron Binding in (H2O)8
Marcelo Carignano, Anis Muhammad and Sabre Kais
J. Phys. Chem. A 113, 10886 (2009).
Link to PDF
Study of electronic structure and dynamics of interacting free radicals influenced by water
Shiyu Du, Joseph S. Francisco, and Sabre Kais
The Journal of Chemical Physics 130, 124312 (2009).
Link to PDF
Quantum Teleportation in Quantum Dots System
H. Wang and S. Kais
Handbook of Nanophysics. Edited by Klaus Sattler (2009).
Link to PDF
2008
Entanglement, Berry phases, and level crossings for the atomic Breit-Rabi Hamiltonian
Sangehul Oh, Zhen Huang, Uri Peskin and Sabre Kais
Phys. Rev. A, 78, 062106 (2008).
Link to PDF
Dimensional scaling treatment of stability of simple diatomic molecules induced by super- intense, high-frequency laser fields
Qi Wei, Sabre Kais, and Dudley Herschbach
J. Chem. Phys. 129, 214110-8 (2008).
Link to PDF
Quantum Algorithm for Obtaining the Energy Spectrum of Molecular Systems
Hefeng Wang, Sabre Kais, Alan Aspuru-Guzik and Mark R. Hoffmann
Physical Chemsitry Chemical Physics, 10 5388-5393 (2008).
Link to PDF
Nuclear-induced time evolution of an entangled two-electron spins in a coupled quantum dot
Gehad Sadiek, Zhen Huang, Omar Aldosary and Sabre Kais
Mol. Phys. 106, 1777-1786 (2008).
Link to PDF
Dimensional Scaling for Stability of Two Particles in a Dipole Field
Ferron, P. Serra, and S. Kais
Chem. Phys. Letters 461, 127-130 (2008).
Link to PDF
Critical Conditions for Stability of Hydrogen-Antihydrogen Like Systems
A. Ferron, P. Serra, and S. Kais
Phys. Rev. A 77, 052505-1 (2008).
Link to PDF
Finite Size Scaling with the Finite Element Method
Winton Moy, Marcelo Carignano and Sabre Kais
J. Phys. Chem. 112, 5448-5452 (2008).
Link to PDF
Dynamics of Entanglement for Two-Electron Atoms
Omar Osenda, Pablo Serra and Sabre Kais
Int. J. Quantum Information, Volume 6, 303-316 ( 2008).
No pdf available
Critical conditions for stable dipole-bound dianions
A. Ferron, P. Serra, and S. Kais J.
Chem. Phys. 128, 044307 (2008).
Link to PDF
Finite Size Scaling with Gaussian Basis Sets
Winton Moy, Sabre Kais and Pablo Serra
Molecular Physics 106, 203-212 (2008).
Link to PDF
2007
Quantum Entanglement and Electron Correlation in Molecular Systems
Hefeng Wang and Sabre Kais
Israel Journal of Chemistry, 47, 59-65 (2007).
No pdf available
Dimensional Scaling Treatment of Stability of Atomic and Anions Induced by Superintense Laser Fields
Qi Wei, Sabre Kais and Dudley Herschbach
J. Chem. Phys., 127 094301 (2007).
Link to PDF
Frequency-dependent stablization of He- by a superintense laser field
Qi Wei, Sabre Kais and Nimrod Moiseyev
Phys. Rev. A 76, 013407 (2007).
Link to PDF
Internal Entanglement Amplification by External Interactions
Uri Peskin, Zhen Huang and Sabre Kais
Phys. Rev. A 76, 012102 (2007).
Link to PDF
Entanglement, Electron Correlation and Density Matrices
Sabre Kais
Reduced-Density-matrix Mechanics with Applications to Many-electron Atoms and Molecules. Advances in Chemical Physics Vol 134 Edited by D.A. Mazziotti.
(Wiley, New York , 2007).
Link to PDF
2006
Entanglement and Electron Correlation in Quantum Chemistry Calculations
Zhen Huang, Hefeng Wang and Sabre Kais
Journal of Modern Optics, 53, 2543-2558 (2006).
Link to PDF
New Stable Multiply Charged Negative Atomic Ions in Linearly Polarized Laser Fields
Qi Wei, Sabre Kais and Nimrod Moiseyev
Communication: Journal of Chemical Physics 124, 201108 (2006).
Link to PDF
Entanglement and Quantum Phase Transition in a One-Dimensional System of Quantum Dots with Disorder
Hefeng Wang and Sabre Kais
Chem. Phys. Letters 421, 338 (2006).
Link to PDF
Time evolution of a single spin inhomogeneously coupled to an interacting spin environment
Zhen Huang, Gehad Sadiek and Sabre Kais
J. Chem. Phys. 124, 144513 (2006).
Link to PDF
Quantum criticality at the infinite complete basis set limit: A thermodynamic analog of the Yang and Lee theorem
Sabre Kais, Craig Wenger and Qi Wei
Chem. Phys. Letters 423, 45 (2006).
Link to PDF
Entanglement Evolution of One-dimensional Spin Systems in External Magnetic Fields
Zhen Huang and Sabre Kais
Phys, Rev. A73, 022339 (2006).
Link to PDF
Quantum teleportation in one-dimensional quantum dots system
Hefeng Wang and Sabre Kais
Int. J. Quantum Information 4, 827-835 (2006).
Link to PDF
2005
Graph Theory for Fused Cubic Clusters of Water Dodecamer
Qicun Shi, Sabre Kais, and Joseph Francisco
J. Phys. Chem. A 109, 12036 (2005).
Link to PDF
Dynamics of Entanglement for One-Dimensional Spin Systems in an External Time-Dependent Magnetic Field
Zhen Huang and Sabre Kais
In. J. Quant. Information 3, 83 (2005).
Link to PDF
Discontinuity of Shannon-Information Entropy for Two-Electron Atoms
Qicun Shi and Sabre Kais
Chem. Phys. 309, 127-131 (2005).
Link to PDF
Entanglement as Measure of Electron-Electron Correlation in Quantum Chemistry Calculations
Zhen Huang and Sabre Kais
Chem. Phys. Letters 413,1 (2005).
Link to PDF
Dynamics of Entanglement for Two-Electron Atoms
Omar Osenda, Pablo Serra and Sabre Kais
Phys. Lett. A (submitted, 2005).
Link to PDF
2004
Finite Size Scaling for the Atomic Shannon-Information Entropy
Qicun Shi and Sabre Kais
J. Chem. Phys. 121, 5611-5617 (2004).
Link to PDF
Scaling of entanglement at quantum phase transition for two-dimensional array of quantum dots
Zhen Huang, Omar Osenda and Sabre Kais
Phys. Rev. A 70, 022301-1 022301-4 (2004).
Link to PDF
Finite Size Scaling for Critical Conditions for Stable Quadrupole-Bound Anions
Alejandro Ferron, Pablo Serra and Sabre Kais
J. Chem. Phys. 120, 8412-8419 (2004).
Link to PDF
Electron localization-delocalization transitions in dissociation of the C4 anion: A large-D analysis
Qicun Shi,Sabre Kais and Dudley R. Herschbach
J. Chem. Phys. 120, 2199-2207 (2004).
Link to PDF
Entanglement of formation for one-dimensional magnetic systems with defects
Zhen Huang, Omar Osenda and Sabre Kais
Physics Letters A 322, 137-145 (2004).
Link to PDF
Finite Size Scaling in Quantum Mechanics
Sabre Kais and Pablo Serra
Progress in Quantum Physics Research. Edited by V. Krasnoholovets. Nova Science Publishers, Chap 6, 155-164 (in press, 2004).
Link to PDF
2003
Scaling of entanglement in finite arrays of excahnge-coupled quantum dots
Jiaxiang Wang and Sabre Kais
Int. J. Quant. Information Vol 1 (3), 375-387 (2003).
Link to PDF
Combined effects of disorders and electron-electron interactions upon metal-insulator transition in 2D non-bipartite lattice
J. X. Wang and S. Kais
Physics Letters A 316, 265-270 (2003).
Link to PDF
Tuning the Entanglement for a 1D Magnetic System with Anisotropic Coupling and Impurities
Omar Osenda, Zhen Huang and Sabre Kais
Phys. Rev. A 67, 062321-4 (2003).
Link to PDF
On the Interaction between Atmospheric Radicals and Cloud Droplets: A Molecular Picture of the Interface
Qicun Shi, Stephen D. Belair, Joseph S. Francisco and Sabre Kais
PNAS 100, 9686-9690 (2003).
Link to PDF
Finite Size Scaling for Atomic and Molecular Systems
Sabre Kais and Pablo Serra
Advances in Chemical Physics, Volume 125, 1-100 (2003).
Link to PDF
Finite Size Scaling for Critical Conditions for Stable Dipole-Bound Anions
Pablo Serra and Sabre Kais
Chemical Physics Letters 372, 205-209 (2003).
Link to PDF
Metal-insulator transition in Hubbard model on a triangular lattice with disorders: Renormalization group approach
J. X. Wang and Sabre Kais
Int. J. Quantum Chem. 93, 360-374 (2003).
Link to PDF
2002
Size effects in the electronic properties of finite arrays of exchange coupled quantum dots
J. X. Wang, Sabre Kais, F. Remacle and R.D. Levine
J. Phys. Chem. B 106, 12847-12850 (2002).
Link to PDF
Finite-size scaling for Mott metal-insulator transition on a half filled nonpartite lattice
J. X. Wang and Sabre Kais
Rapid Communications, Phys. Rev. B66, 081101-4 (2002).
Link to PDF
Lifetimes of Metastable Spherical Carbon Cluster Dianions
Qicun Shi and Sabre Kais
Molecular Physics 100, 475-481 (2002).
Link to PDF
Potential Energy Surface for the Hydroperoxy and Water Radical Complex
Stephen D. Belair, Sabre Kais, and Joseph S. Francisco
Molecular Physics 100, 247-253 (2002).
Link to PDF
Finite Size Scaling in Quantum Mechanics
Sabre Kais
Computational Nanoscience and Nanotechnology, p. 474-477 (2002).
Link to PDF
Real-space renormalization group study of the Hubbard model on a non-bipartite lattice
J. X. Wang, Sabre Kais and R.D. Levine
International Journal of Molecular Sciences 3,4-16 (2002).
Link to PDF
2001
Quantum criticality for few-body systems: Path integral approach
Ricardo A. Sauerwein and Sabre Kais
Phys. Rev. E 64, 056120-1-6 (2001).
Link to PDF
Study of phase changes in water octamer using the parallel tempering and multihistogram methods
Pablo Nigra, Marcelo Carignano and Sabre Kais
J. Chem. Phys. 115, 2621-2628 (2001).
Link to PDF
Electronic Isomerism: Symmetry Breaking and Electronic Phase Diagrams for Diatomic Molecules at the Large-Dimension Limit
Q. Shi, S. Kais, F. Remacle and R.D. Levine
Chem Phys Chem. 2, 434-442 (2001).
Link to PDF
On the Crossing of Electronic Energy Levels of diatomic Molecules at the Large-D Limit
Q. Shi, S. Kais, F. Remacle and R.D. Levine
J. Chem. Phys. 114, 9697-9705 (2001).
Link to PDF
Quantum Criticality At The Large Dimensional Limit: Three-Body Coulomb Systems
Q. Shi and S. Kais
Int. J. Quantum Chem. 85, 307-314 (2001).
Link to PDF
Resonance States of Atomic Anions
Alexei Sergeev and Sabre Kais
Int. J. Quantum Chem. 82, 255-261 (2001).
Link to PDF
Quantum Critical Phenomena in the Schrodenger Formulation: Mapping to Classical Lattices
Ricardo Sauerwein and Sabre Kais
Chem. Phys. Letters 333, 451-458 (2001).
Link to PDF
2000
Quantum criticality and stability of three-body Coulomb systems
Sabre Kais and Qicun Shi
Phys. Rev. A(Rapid Communications) 62, 060502-5 (2000).
Link to PDF
Finite Size Scaling Method for the Stability of Atomic and Molecular Ions
Pablo Serra, Sabre Kais and Juan P. Neirotti
Physica A 283, 65-73 (2000).
Link to PDF
Critical Behavior of Electron Impact Ionization of Atoms
Imad Ladadwa and Sabre Kais
Int. J. Quantum Chem. 80, 575-581 (2000).
Link to PDF
Finite size scaling for critical parameters of simple diatomic molecules
Qicun Shi and Sabre Kais
Mol. Phys. 98, 1485-1495 (2000).
Link to PDF
Data collapse for the Schrodinger equation
Pablo Serra and Sabre Kais
Chem. Phys. Letters 319, 273-277 (2000).
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Quantum Critical Phenomena and Stability of Atomic and Molecular Ions
Sabre Kais and Pablo Serra
Int. Rev. Phys. Chem. Vol 19, 97-121 (2000).
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