Sabre Kais Group

Quantum Information and Quantum Computation

Publications

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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Kais CV 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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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Neuroreceptor Activation by Vibration-Assisted Tunneling
Hoehn, Ross D.; Nichols, David; Kais, Sabre; et al
Scientific Reports, 5, 9990 (2015)
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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)
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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)
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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)
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Delocalized Quantum States Enhance Photocell Efficiency
Zhang, Yiteng; Oh, Sangchul; Alharbi, Fahhad H; et al
Physical Chemistry Chemical Physics: PCCP, 17, 5743-5750 (2015)
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Hamiltonian Gadgets with Reduced Resource Requirements
Cao, Yudong; Babbush, Ryan; Biamonte, Jacob; et al.
Physical Review A, 91, 2315-2315 (2015)
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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)
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Transitionless Driving on Adiabatic Search Algorithm
Oh, Sangchul; Kais, Sabre
Journal of Chemical Physics, 141, 224108 (2014)
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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)
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A Universal Quantum Circuit Scheme for Finding Complex Eigenvalues
Daskin, Anmer; Grama, Ananth; Kais, Sabre
Quantum Information Processing, 13, 333-353 (2014)
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Sensitivity and Entanglement in the Avian Chemical Compass
Zhang, Yiteng; Berman, Gennady P.; Kais, Sabre
Physical Review E, 90, 4, 042707 (2014)
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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)
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Quantum Random State Generation with Predefined Entanglement Constraint
Daskin, Anmer; Grama, Ananth; Kais, Sabre
International Journal of Quantum Information, 12, 5, 1450030 (2014)
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Multiple Network Alignment on Quantum Computers
Daskin, Anmer; Grama, Ananth; Kais, Sabre
Quantum Information Processing, 13, 2653-2666 (2014)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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Using Quantum Games to Teach Quantum Mechanics, Part 2
Hoehn, Ross D.; Mack, Nick; Kais, Sabre
Journal of Chemical Education, 91, 423-427 (2014)
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Using Quantum Games to Teach Quantum Mechanics, Part 1
Hoehn, Ross D.; Mack, Nick; Kais, Sabre
Journal of Chemical Education, 91, 417-422 (2014)
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2013

Quantum confinement and negative heat capacity
Pablo Serra, Marcelo Carignano, Fahhad H. Alharbi, Sabre Kais
Europhysics letters.Vol.104(1),p.16004 (2013)
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Degree Distribution in Quantum Walks on Complex Networks
Mauro Faccin, Tomi Johnson, Jacob Biamonte, Sabre Kais, Piotr Migdal
Physical Review X, 3, 041007 (2013)
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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)
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Manipulation of molecules with electromagnetic fields
Mikhail Lemeshko, Roman Krems, John M. Doyle, Sabre Kais
Molecular Physics, 111:12-13, 1648-1682 (2013)
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Quantum coherence and entanglement in the avian compass
James Pauls, Yiteng Zhang, Gennady Berman, Sabre Kais
Physical Revew E, 87, 062704 (2013)
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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)
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Quantum criticality analysis by finite-size scaling and exponential basis sets
Fahhad H. Alharbi, Sabre Kais
Physcial Review E, 87, 043308 (2013)
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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)
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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)
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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)
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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)
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Population and coherence dynamics in light harvesting complex II (LH2)
Shu-Hao Yeh, Jing Zhu, Sabre Kais
Journal of Chemical Physics, 137, 084110 (2012)
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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)
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Scaling Mount Impossible: A Festschrift for Dudley Herschbach PREFACE
Bretislav Friedrich, Sabre Kais, David Mazziotti
Molecular Physics, 110, 1537 (2012)
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Quantum circuit design for solving linear systems of equations
Yudong Cao, Anmer Daskin, Steven Frankel, Sabre Kais
Molecular Physics, 110, 1675-1680 (2012)
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Journal of Chemical Physics, 137, 074112 (2012)
Gehad Sadiek, Qing Xu, Sabre Kais
Physical Review A, 85, 042313 (2012)
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Finite-size scaling for quantum criticality using the finite-element method
Edwin Antillon, Birgit Wehefritz-Kaufmann, Sabre Kais
Physical Reveiew E, 85, 036706 (2012)
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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)
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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)
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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)
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Entanglement for molecules and dipole arrays
Sabre Kais
Abstracts of Papers of the American Chemical Society, 242, 537-PHYS (2011)
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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
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Dynamics of entanglement in a two-dimensional spin system
Qing Xu, Gehad Sadiek and Sabre Kais
Phys. Rev. A 83, 062312 (2011).
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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).
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Decomposition of unitary matrices for finding quantum circuits: Application to molecular Hamiltonians
Anmer Daskin and Sabre Kais
J. Chem. Phys. 134, 144112 (2011).
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Decomposition of unitary matrices for finding quantum circuits
Anmer Daskin, Sabre Kais
Abstracts of Papers of the American Chemical Society, 241, 181-PHYS (2011)
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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)
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Entanglement of polar molecules in pendular states
Qi Wei, Sabre Kais, Bretislav Friedrich and Dudley Herschbcah
J. Chem. Phys. 134, 124107 (2011).
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Group Leaders Optimization
Anmer Daskin and Sabre Kais
Mol. Phys. 109, 761-772 (2011).
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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).
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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)
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Communications: Entanglement switch for dipole arrays
Q. Wei, S. Kais, and YP Chen
J. Chem. Phys. 132, 121104 (2010).
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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).
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2009

Simulated Quantum Computation of Global Minima
Jing Zhu, Zhen Huang and Sabre Kais
Molecular Physics, 107, 2015 (2009).
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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).
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Temperature Dependent Electron Binding in (H2O)8
Marcelo Carignano, Anis Muhammad and Sabre Kais
J. Phys. Chem. A 113, 10886 (2009).
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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).
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Quantum Teleportation in Quantum Dots System
H. Wang and S. Kais
Handbook of Nanophysics. Edited by Klaus Sattler (2009).
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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).
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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).
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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).
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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).
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Dimensional Scaling for Stability of Two Particles in a Dipole Field
Ferron, P. Serra, and S. Kais
Chem. Phys. Letters 461, 127-130 (2008).
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Critical Conditions for Stability of Hydrogen-Antihydrogen Like Systems
A. Ferron, P. Serra, and S. Kais
Phys. Rev. A 77, 052505-1 (2008).
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Finite Size Scaling with the Finite Element Method
Winton Moy, Marcelo Carignano and Sabre Kais
J. Phys. Chem. 112, 5448-5452 (2008).
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Dynamics of Entanglement for Two-Electron Atoms
Omar Osenda, Pablo Serra and Sabre Kais
Int. J. Quantum Information, Volume 6, 303-316 ( 2008).
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Critical conditions for stable dipole-bound dianions
A. Ferron, P. Serra, and S. Kais J.
Chem. Phys. 128, 044307 (2008).
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Finite Size Scaling with Gaussian Basis Sets
Winton Moy, Sabre Kais and Pablo Serra
Molecular Physics 106, 203-212 (2008).
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2007

Quantum Entanglement and Electron Correlation in Molecular Systems
Hefeng Wang and Sabre Kais
Israel Journal of Chemistry, 47, 59-65 (2007).
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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).
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Frequency-dependent stablization of He- by a superintense laser field
Qi Wei, Sabre Kais and Nimrod Moiseyev
Phys. Rev. A 76, 013407 (2007).
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Internal Entanglement Amplification by External Interactions
Uri Peskin, Zhen Huang and Sabre Kais
Phys. Rev. A 76, 012102 (2007).
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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).
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2006

Entanglement and Electron Correlation in Quantum Chemistry Calculations
Zhen Huang, Hefeng Wang and Sabre Kais
Journal of Modern Optics, 53, 2543-2558 (2006).
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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).
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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).
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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).
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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).
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Entanglement Evolution of One-dimensional Spin Systems in External Magnetic Fields
Zhen Huang and Sabre Kais
Phys, Rev. A73, 022339 (2006).
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Quantum teleportation in one-dimensional quantum dots system
Hefeng Wang and Sabre Kais
Int. J. Quantum Information 4, 827-835 (2006).
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2005

Graph Theory for Fused Cubic Clusters of Water Dodecamer
Qicun Shi, Sabre Kais, and Joseph Francisco
J. Phys. Chem. A 109, 12036 (2005).
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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).
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Discontinuity of Shannon-Information Entropy for Two-Electron Atoms
Qicun Shi and Sabre Kais
Chem. Phys. 309, 127-131 (2005).
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Entanglement as Measure of Electron-Electron Correlation in Quantum Chemistry Calculations
Zhen Huang and Sabre Kais
Chem. Phys. Letters 413,1 (2005).
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Dynamics of Entanglement for Two-Electron Atoms
Omar Osenda, Pablo Serra and Sabre Kais
Phys. Lett. A (submitted, 2005).
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2004

Finite Size Scaling for the Atomic Shannon-Information Entropy
Qicun Shi and Sabre Kais
J. Chem. Phys. 121, 5611-5617 (2004).
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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).
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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).
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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).
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Entanglement of formation for one-dimensional magnetic systems with defects
Zhen Huang, Omar Osenda and Sabre Kais
Physics Letters A 322, 137-145 (2004).
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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).
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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).
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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).
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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).
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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).
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Finite Size Scaling for Atomic and Molecular Systems
Sabre Kais and Pablo Serra
Advances in Chemical Physics, Volume 125, 1-100 (2003).
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Finite Size Scaling for Critical Conditions for Stable Dipole-Bound Anions
Pablo Serra and Sabre Kais
Chemical Physics Letters 372, 205-209 (2003).
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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).
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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).
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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).
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Lifetimes of Metastable Spherical Carbon Cluster Dianions
Qicun Shi and Sabre Kais
Molecular Physics 100, 475-481 (2002).
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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).
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Finite Size Scaling in Quantum Mechanics
Sabre Kais
Computational Nanoscience and Nanotechnology, p. 474-477 (2002).
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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).
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2001

Quantum criticality for few-body systems: Path integral approach
Ricardo A. Sauerwein and Sabre Kais
Phys. Rev. E 64, 056120-1-6 (2001).
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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).
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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).
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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).
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Quantum Criticality At The Large Dimensional Limit: Three-Body Coulomb Systems
Q. Shi and S. Kais
Int. J. Quantum Chem. 85, 307-314 (2001).
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Resonance States of Atomic Anions
Alexei Sergeev and Sabre Kais
Int. J. Quantum Chem. 82, 255-261 (2001).
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Quantum Critical Phenomena in the Schrodenger Formulation: Mapping to Classical Lattices
Ricardo Sauerwein and Sabre Kais
Chem. Phys. Letters 333, 451-458 (2001).
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2000

Quantum criticality and stability of three-body Coulomb systems
Sabre Kais and Qicun Shi
Phys. Rev. A(Rapid Communications) 62, 060502-5 (2000).
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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).
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Critical Behavior of Electron Impact Ionization of Atoms
Imad Ladadwa and Sabre Kais
Int. J. Quantum Chem. 80, 575-581 (2000).
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Finite size scaling for critical parameters of simple diatomic molecules
Qicun Shi and Sabre Kais
Mol. Phys. 98, 1485-1495 (2000).
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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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