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Sabre Kais - Publications

Affiliations: 
Chemistry Purdue University, West Lafayette, IN, United States 
Area:
electronic structure and dynamics of atoms, molecules, clusters and quantum dots
Website:
http://www.chem.purdue.edu/people/faculty/faculty.asp?itemID=38
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Year Citation  Score
2023 Sajjan M, Gupta R, Kale SS, Singh V, Kumaran K, Kais S. Physics-Inspired Quantum Simulation of Resonating Valence Bond States─A Prototypical Template for a Spin-Liquid Ground State. The Journal of Physical Chemistry. A. 127: 8751-8764. PMID 37795926 DOI: 10.1021/acs.jpca.3c05172  0.809
2023 Bhatia AS, Saggi MK, Kais S. Quantum Machine Learning Predicting ADME-Tox Properties in Drug Discovery. Journal of Chemical Information and Modeling. PMID 37603536 DOI: 10.1021/acs.jcim.3c01079  0.323
2023 Wang Y, Mulvihill E, Hu Z, Lyu N, Shivpuje S, Liu Y, Soley MB, Geva E, Batista VS, Kais S. Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations. Journal of Chemical Theory and Computation. PMID 37233199 DOI: 10.1021/acs.jctc.3c00316  0.353
2023 Li J, Jones BA, Kais S. Toward perturbation theory methods on a quantum computer. Science Advances. 9: eadg4576. PMID 37172088 DOI: 10.1126/sciadv.adg4576  0.341
2023 Hu Z, Kais S. Characterizing quantum circuits with qubit functional configurations. Scientific Reports. 13: 5539. PMID 37015956 DOI: 10.1038/s41598-023-31980-3  0.317
2023 Gupta R, Selvarajan R, Sajjan M, Levine RD, Kais S. Hamiltonian Learning from Time Dynamics Using Variational Algorithms. The Journal of Physical Chemistry. A. PMID 36988574 DOI: 10.1021/acs.jpca.2c08993  0.811
2023 Zhang Y, Hu Z, Wang Y, Kais S. Quantum Simulation of the Radical Pair Dynamics of the Avian Compass. The Journal of Physical Chemistry Letters. 14: 832-837. PMID 36655839 DOI: 10.1021/acs.jpclett.2c03617  0.327
2022 Sajjan M, Alaeian H, Kais S. Magnetic phases of spatially modulated spin-1 chains in Rydberg excitons: Classical and quantum simulations. The Journal of Chemical Physics. 157: 224111. PMID 36546788 DOI: 10.1063/5.0128283  0.778
2022 Gupta R, Sajjan M, Levine RD, Kais S. Variational approach to quantum state tomography based on maximal entropy formalism. Physical Chemistry Chemical Physics : Pccp. PMID 36426661 DOI: 10.1039/d2cp04493e  0.825
2022 Yue W, Wei Q, Kais S, Friedrich B, Herschbach D. Realization of Heisenberg models of spin systems with polar molecules in pendular states. Physical Chemistry Chemical Physics : Pccp. PMID 36222416 DOI: 10.1039/d2cp00380e  0.568
2022 Sajjan M, Li J, Selvarajan R, Sureshbabu SH, Kale SS, Gupta R, Singh V, Kais S. Quantum machine learning for chemistry and physics. Chemical Society Reviews. 51: 6475-6573. PMID 35849066 DOI: 10.1039/d2cs00203e  0.779
2022 Ghosh KJB, Kais S, Herschbach DR. Geometrical picture of the electron-electron correlation at the large- limit. Physical Chemistry Chemical Physics : Pccp. 24: 9298-9307. PMID 35383350 DOI: 10.1039/d2cp00438k  0.527
2021 Hu Z, Kais S. A quantum encryption design featuring confusion, diffusion, and mode of operation. Scientific Reports. 11: 23774. PMID 34893658 DOI: 10.1038/s41598-021-03241-8  0.326
2021 Kale SS, Chen YP, Kais S. Constructive Quantum Interference in Photochemical Reactions. Journal of Chemical Theory and Computation. PMID 34788039 DOI: 10.1021/acs.jctc.1c00826  0.618
2021 Sajjan M, Sureshbabu SH, Kais S. Quantum Machine-Learning for Eigenstate Filtration in Two-Dimensional Materials. Journal of the American Chemical Society. PMID 34705449 DOI: 10.1021/jacs.1c06246  0.811
2021 Ghosh KJB, Kais S, Herschbach DR. Dimensional Interpolation for Random Walk. The Journal of Physical Chemistry. A. PMID 34427435 DOI: 10.1021/acs.jpca.1c05551  0.46
2021 Gupta R, Levine RD, Kais S. Convergence of a Reconstructed Density Matrix to a Pure State Using the Maximal Entropy Approach. The Journal of Physical Chemistry. A. PMID 34410718 DOI: 10.1021/acs.jpca.1c05884  0.545
2021 Sureshbabu SH, Sajjan M, Oh S, Kais S. Implementation of Quantum Machine Learning for Electronic Structure Calculations of Periodic Systems on Quantum Computing Devices. Journal of Chemical Information and Modeling. PMID 34133166 DOI: 10.1021/acs.jcim.1c00294  0.801
2020 Xia R, Kais S. Hybrid Quantum-Classical Neural Network for Calculating Ground State Energies of Molecules. Entropy (Basel, Switzerland). 22. PMID 33286599 DOI: 10.3390/E22080828  0.407
2020 Ghosh KJB, Kais S, Herschbach DR. Dimensional interpolation for metallic hydrogen. Physical Chemistry Chemical Physics : Pccp. PMID 33201955 DOI: 10.1039/d0cp05301e  0.48
2020 Kale SS, Ding Y, Chen YP, Friedrich B, Kais S. Spin-momentum entanglement in a Bose-Einstein condensate. Physical Chemistry Chemical Physics : Pccp. PMID 33164001 DOI: 10.1039/d0cp03945d  0.64
2020 Hu Z, Xia R, Kais S. A quantum algorithm for evolving open quantum dynamics on quantum computing devices. Scientific Reports. 10: 3301. PMID 32094482 DOI: 10.1038/S41598-020-60321-X  0.45
2020 Ghosh KJB, Kais S, Herschbach DR. Unorthodox Dimensional Interpolations for He, Li, Be Atoms and Hydrogen Molecule Frontiers in Physics. 8. DOI: 10.3389/Fphy.2020.00331  0.556
2019 Li J, Kais S. Entanglement classifier in chemical reactions. Science Advances. 5: eaax5283. PMID 31414049 DOI: 10.1126/Sciadv.Aax5283  0.433
2019 Hoehn RD, Francisco JS, Kais S, Kachmar A. Role of Water on the Rotational Dynamics of the Organic Methylammonium Cation: A First Principles Analysis. Scientific Reports. 9: 668. PMID 30679543 DOI: 10.1038/S41598-018-36900-4  0.729
2019 Massey SC, Ting PC, Yeh SH, Dahlberg PD, Sohail SH, Allodi MA, Martin EC, Kais S, Hunter CN, Engel GS. Orientational Dynamics of Transition Dipoles and Exciton Relaxation in LH2 from Ultrafast Two-Dimensional Anisotropy. The Journal of Physical Chemistry Letters. PMID 30599133 DOI: 10.1021/Acs.Jpclett.8B03223  0.308
2019 Bian T, Murphy D, Xia R, Daskin A, Kais S. Quantum computing methods for electronic states of the water molecule Molecular Physics. 117: 2069-2082. DOI: 10.1080/00268976.2019.1580392  0.432
2019 Daskin A, Bian T, Xia R, Kais S. Context-aware quantum simulation of a matrix stored in quantum memory Quantum Information Processing. 18. DOI: 10.1007/S11128-019-2469-1  0.399
2019 Lu H, Hu Z, Alshaykh MS, Moore AJ, Wang Y, Imany P, Weiner AM, Kais S. Quantum Phase Estimation with Time‐Frequency Qudits in a Single Photon Advanced Quantum Technologies. 3: 1900074. DOI: 10.1002/Qute.201900074  0.438
2018 Jiang S, Britt KA, McCaskey AJ, Humble TS, Kais S. Quantum Annealing for Prime Factorization. Scientific Reports. 8: 17667. PMID 30518780 DOI: 10.1038/S41598-018-36058-Z  0.318
2018 Hu Z, Engel GS, Kais S. Double-excitation manifold's effect on exciton transfer dynamics and the efficiency of coherent light harvesting. Physical Chemistry Chemical Physics : Pccp. PMID 30480676 DOI: 10.1039/C8Cp05535A  0.311
2018 Xia R, Kais S. Quantum machine learning for electronic structure calculations. Nature Communications. 9: 4195. PMID 30305624 DOI: 10.1038/S41467-018-06598-Z  0.474
2018 Wei Q, Kais S, Yasuike T, Herschbach D. Pendular alignment and strong chemical binding are induced in helium dimer molecules by intense laser fields. Proceedings of the National Academy of Sciences of the United States of America. PMID 30194233 DOI: 10.1073/Pnas.1810102115  0.596
2018 Yeh SH, Hoehn RD, Allodi MA, Engel GS, Kais S. Elucidation of near-resonance vibronic coherence lifetimes by nonadiabatic electronic-vibrational state character mixing. Proceedings of the National Academy of Sciences of the United States of America. PMID 30093387 DOI: 10.1073/Pnas.1701390115  0.745
2018 Hu Z, Engel GS, Alharbi FH, Kais S. Dark states and delocalization: Competing effects of quantum coherence on the efficiency of light harvesting systems. The Journal of Chemical Physics. 148: 064304. PMID 29448771 DOI: 10.1063/1.5009903  0.338
2018 Hoehn RD, Nichols DE, Neven H, Kais S. Status of the Vibrational Theory of Olfaction Frontiers in Physics. 6. DOI: 10.3389/Fphy.2018.00025  0.712
2018 Szczęśniak D, Hoehn RD, Kais S. Canonical Schottky barrier heights of transition metal dichalcogenide monolayers in contact with a metal Physical Review B. 97. DOI: 10.1103/Physrevb.97.195315  0.686
2018 Rolczynski BS, Zheng H, Singh VP, Navotnaya P, Ginzburg AR, Caram JR, Ashraf K, Gardiner AT, Yeh S, Kais S, Cogdell RJ, Engel GS. Correlated Protein Environments Drive Quantum Coherence Lifetimes in Photosynthetic Pigment-Protein Complexes Chem. 4: 138-149. DOI: 10.1016/J.Chempr.2017.12.009  0.35
2018 Daskin A, Kais S. Direct application of the phase estimation algorithm to find the eigenvalues of the Hamiltonians Chemical Physics. 514: 87-94. DOI: 10.1016/J.Chemphys.2018.01.002  0.328
2018 Wang D, Shi W, Hoehn RD, Ming F, Sun W, Ye L, Kais S. Probing entropic uncertainty relations under a two-atom system coupled with structured bosonic reservoirs Quantum Information Processing. 17. DOI: 10.1007/S11128-018-2100-X  0.768
2018 Daskin A, Kais S. A generalized circuit for the Hamiltonian dynamics through the truncated series Quantum Information Processing. 17. DOI: 10.1007/S11128-018-2099-Z  0.373
2018 Wang D, Shi W, Hoehn RD, Ming F, Sun W, Kais S, Ye L. Effects of Hawking Radiation on the Entropic Uncertainty in a Schwarzschild Space-Time Annalen Der Physik. 530: 1800080. DOI: 10.1002/Andp.201800080  0.748
2017 Farhat M, Kais S, Alharbi FH. Effect of Time-Delayed Feedback on the Interaction of a Dimer System with its Environment. Scientific Reports. 7: 15468. PMID 29133789 DOI: 10.1038/S41598-017-15185-Z  0.361
2017 Xia R, Bian T, Kais S. Electronic Structure Calculations and the Ising Hamiltonian. The Journal of Physical Chemistry. B. PMID 29099600 DOI: 10.1021/Acs.Jpcb.7B10371  0.416
2017 Hoehn RD, Nichols DE, McCorvy JD, Neven H, Kais S. Experimental evaluation of the generalized vibrational theory of G protein-coupled receptor activation. Proceedings of the National Academy of Sciences of the United States of America. PMID 28500275 DOI: 10.1073/Pnas.1618422114  0.708
2017 Wang D, Huang AJ, Hoehn RD, Ming F, Sun WY, Shi JD, Ye L, Kais S. Entropic uncertainty relations for Markovian and non-Markovian processes under a structured bosonic reservoir. Scientific Reports. 7: 1066. PMID 28432300 DOI: 10.1038/S41598-017-01094-8  0.775
2017 Wei Q, Wang P, Kais S, Herschbach D. Pursuit of the Kramers-Henneberger atom Chemical Physics Letters. 683: 240-246. DOI: 10.1016/J.Cplett.2017.02.017  0.594
2016 Zhang Y, Wirthwein A, Alharbi FH, Engel GS, Kais S. Dark states enhance the photocell power via phononic dissipation. Physical Chemistry Chemical Physics : Pccp. PMID 27841390 DOI: 10.1039/C6Cp06098F  0.334
2016 Wie Q, Cao Y, Kais S, Friedrich B, Herschbach D. Quantum Computation using Arrays of N Polar Molecules in Pendular States. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 27767247 DOI: 10.1002/Cphc.201600781  0.623
2016 Cao Y, Jiang S, Perouli D, Kais S. Solving Set Cover with Pairs Problem using Quantum Annealing. Scientific Reports. 6: 33957. PMID 27670578 DOI: 10.1038/Srep33957  0.379
2016 Hoehn RD, Carignano MA, Kais S, Zhu C, Zhong J, Zeng XC, Francisco JS, Gladich I. Hydrogen bonding and orientation effects on the accommodation of methylamine at the air-water interface. The Journal of Chemical Physics. 144: 214701. PMID 27276960 DOI: 10.1063/1.4950951  0.702
2016 Hoehn RD, Yeole SD, Kais S, Francisco JS. Analytic ab initio-based molecular interaction potential for the BrO⋅H2O complex. The Journal of Chemical Physics. 144: 204121. PMID 27250293 DOI: 10.1063/1.4950956  0.745
2016 Karra M, Sharma K, Friedrich B, Kais S, Herschbach D. Prospects for quantum computing with an array of ultracold polar paramagnetic molecules. The Journal of Chemical Physics. 144: 094301. PMID 26957163 DOI: 10.1063/1.4942928  0.578
2016 Oh S, Hu X, Nori F, Kais S. Singularity of the time-energy uncertainty in adiabatic perturbation and cycloids on a Bloch sphere. Scientific Reports. 6: 20824. PMID 26916031 DOI: 10.1038/Srep20824  0.4
2016 Sergeev A, Jovanovic R, Kais S, Alharbi FH. On the divergence of gradient expansions for kinetic energy functionals in the potential functional theory Journal of Physics a: Mathematical and Theoretical. 49: 285202. DOI: 10.1088/1751-8113/49/28/285202  0.324
2016 Daskin A, Kais S. An ancilla-based quantum simulation framework for non-unitary matrices Quantum Information Processing. 16. DOI: 10.1007/S11128-016-1452-3  0.374
2016 Wang D, Hoehn RD, Ye L, Kais S. Efficient Remote Preparation of Four-Qubit Cluster-Type Entangled States with Multi-Party Over Partially Entangled Channels International Journal of Theoretical Physics. 1-13. DOI: 10.1007/S10773-016-2972-4  0.748
2015 Hoehn RD, Nichols D, Neven H, Kais S. Neuroreceptor activation by vibration-assisted tunneling. Scientific Reports. 5: 9990. PMID 25909758 DOI: 10.1038/Srep09990  0.696
2015 Zhang Y, Oh S, Alharbi FH, Engel GS, Kais S. Delocalized quantum states enhance photocell efficiency. Physical Chemistry Chemical Physics : Pccp. 17: 5743-50. PMID 25622523 DOI: 10.1039/C4Cp05310A  0.429
2015 Wang D, Hoehn RD, Ye L, Kais S. Generalized remote preparation of arbitrary m-qubit entangled states via genuine entanglements Entropy. 17: 1755-1774. DOI: 10.3390/E17041755  0.754
2015 Cao Y, Babbush R, Biamonte J, Kais S. Hamiltonian gadgets with reduced resource requirements Physical Review a - Atomic, Molecular, and Optical Physics. 91. DOI: 10.1103/Physreva.91.012315  0.428
2015 Sergeev A, Jovanovic R, Kais S, Alharbi FH. Correction to kinetic energy density functional using exactly solvable model Physica Scripta. 90. DOI: 10.1088/0031-8949/90/12/125401  0.32
2015 Alharbi FH, Kais S. Theoretical limits of photovoltaics efficiency and possible improvements by intuitive approaches learned from photosynthesis and quantum coherence Renewable and Sustainable Energy Reviews. 43: 1073-1089. DOI: 10.1016/J.Rser.2014.11.101  0.374
2015 Lüthi HP, Heinen S, Schneider G, Glöss A, Brändle MP, King RA, Pyzer-Knapp E, Alharbi FH, Kais S. The quantum chemical search for novel materials and the issue of data processing: The InfoMol project Journal of Computational Science. DOI: 10.1016/J.Jocs.2015.10.003  0.359
2015 Zhang Y, Berman GP, Kais S. The radical pair mechanism and the avian chemical compass: Quantum coherence and entanglement International Journal of Quantum Chemistry. DOI: 10.1002/Qua.24943  0.384
2014 Yeh SH, Kais S. Simulated two-dimensional electronic spectroscopy of the eight-bacteriochlorophyll FMO complex. The Journal of Chemical Physics. 141: 234105. PMID 25527917 DOI: 10.1063/1.4903546  0.311
2014 Hoehn RD, Schreder AM, Rez MF, Kais S. An agent-based model approach to multi-phase life-cycle for contact inhibited, anchorage dependent cells. Interdisciplinary Sciences, Computational Life Sciences. 6: 312-22. PMID 25519151 DOI: 10.1007/S12539-012-0236-4  0.711
2014 Oh S, Kais S. Transitionless driving on adiabatic search algorithm. The Journal of Chemical Physics. 141: 224108. PMID 25494733 DOI: 10.1063/1.4903451  0.41
2014 Zhang Y, Berman GP, Kais S. Sensitivity and entanglement in the avian chemical compass. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 90: 042707. PMID 25375523 DOI: 10.1103/Physreve.90.042707  0.301
2014 Ma Y, Wang J, Xu X, Wei Q, Kais S. Quantum phase transition in one-dimensional commensurate frenkel-kontorova model Journal of the Physical Society of Japan. 83. DOI: 10.7566/Jpsj.83.124603  0.58
2014 Ma Y, Wang J, Xu X, Wei Q, Zhu W, Kais S. A density-matrix renormalization group study of a one-dimensional incommensurate quantum Frenkel-Kontorova model Journal of the Physical Society of Japan. 83. DOI: 10.7566/Jpsj.83.094605  0.578
2014 Daskin A, Grama A, Kais S. Quantum random state generation with predefined entanglement constraint International Journal of Quantum Information. 12. DOI: 10.1142/S0219749914500300  0.803
2014 Faccin M, Johnson T, Biamonte J, Kais S, Migdal P. Degree distribution in quantum walks on complex networks Physical Review X. 3. DOI: 10.1103/Physrevx.3.041007  0.424
2014 Nazarov VU, Alharbi F, Fisher TS, Kais S. Time-dependent density functional theory of coupled electronic lattice motion in quasi-two-dimensional crystals Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.195423  0.307
2014 Pan J, Cao Y, Yao X, Li Z, Ju C, Chen H, Peng X, Kais S, Du J. Experimental realization of quantum algorithm for solving linear systems of equations Physical Review a - Atomic, Molecular, and Optical Physics. 89. DOI: 10.1103/Physreva.89.022313  0.347
2014 Herrera F, Cao Y, Kais S, Whaley KB. Infrared-dressed entanglement of cold open-shell polar molecules for universal matchgate quantum computing New Journal of Physics. 16. DOI: 10.1088/1367-2630/16/7/075001  0.421
2014 Hoehn RD, MacK N, Kais S. Using quantum games to teach quantum mechanics, part 1 Journal of Chemical Education. 91: 417-422. DOI: 10.1021/Ed400432Y  0.782
2014 Hoehn RD, MacK N, Kais S. Using quantum games to teach quantum mechanics, part 2 Journal of Chemical Education. 91: 423-427. DOI: 10.1021/ed400432y  0.754
2014 Ma Y, Wang J, Xu X, Qi W, Liu J, Kais S. Entanglement dynamics of two two-level atoms interacting nonsymmetrically with a single-mode quantized field Indian Journal of Physics. 88: 1271-1274. DOI: 10.1007/S12648-014-0589-0  0.326
2014 Brown KL, Daskin A, Kais S, Dowling JP. Reducing the number of ancilla qubits and the gate count required for creating large controlled operations Quantum Information Processing. 14: 891-899. DOI: 10.1007/S11128-014-0900-1  0.76
2014 Daskin A, Grama A, Kais S. Multiple network alignment on quantum computers Quantum Information Processing. 13: 2653-2666. DOI: 10.1007/S11128-014-0818-7  0.746
2014 Li A, Wang J, Ren N, Wang P, Zhu W, Li X, Hoehn R, Kais S. Influence of the intensity gradient upon HHG from free electrons scattered by an intense laser beam Applied Physics B: Lasers and Optics. 117: 95-101. DOI: 10.1007/S00340-014-5806-1  0.714
2014 Sadiek G, Xu Q, Kais S. Dynamics of Entanglement In One‐ and Two‐Dimensional Spin Systems Advances in Chemical Physics. 154: 449-507. DOI: 10.1002/9781118742631.Ch15  0.392
2014 Kais S. Introduction to quantum information and computation for chemistry Advances in Chemical Physics. 154: 1-38. DOI: 10.1002/9781118742631.Ch01  0.394
2013 Pauls JA, Zhang Y, Berman GP, Kais S. Quantum coherence and entanglement in the avian compass. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 87: 062704. PMID 23848712 DOI: 10.1103/Physreve.87.062704  0.368
2013 Alharbi FH, Kais S. Quantum criticality analysis by finite-size scaling and exponential basis sets. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 87: 043308. PMID 23679549 DOI: 10.1103/Physreve.87.043308  0.419
2013 Zhu J, Kais S, Wei Q, Herschbach D, Friedrich B. Implementation of quantum logic gates using polar molecules in pendular states. The Journal of Chemical Physics. 138: 024104. PMID 23320665 DOI: 10.1063/1.4774058  0.715
2013 Serra P, Carignano MA, Alharbi FH, Kais S. Quantum confinement and negative heat capacity Epl. 104. DOI: 10.1209/0295-5075/104/16004  0.369
2013 Antillon E, Wehefritz-Kaufmann B, Kais S. Avalanches in the raise and peel model in the presence of a wall Journal of Physics a: Mathematical and Theoretical. 46. DOI: 10.1088/1751-8113/46/26/265001  0.785
2013 Cao Y, Papageorgiou A, Petras I, Traub J, Kais S. Quantum algorithm and circuit design solving the Poisson equation New Journal of Physics. 15. DOI: 10.1088/1367-2630/15/1/013021  0.4
2013 Sadiek G, Kais S. Persistence of entanglement in thermal states of spin systems Journal of Physics B: Atomic, Molecular and Optical Physics. 46. DOI: 10.1088/0953-4075/46/24/245501  0.334
2013 Li A, Wang J, Ren N, Wang P, Zhu W, Li X, Hoehn R, Kais S. The interference effect of laser-assisted bremsstrahlung emission in Coulomb fields of two nuclei Journal of Applied Physics. 114. DOI: 10.1063/1.4822317  0.72
2013 Daskin A, Grama A, Kais S. A universal quantum circuit scheme for finding complex eigenvalues Quantum Information Processing. 1-21. DOI: 10.1007/S11128-013-0654-1  0.801
2012 Daskin A, Grama A, Kollias G, Kais S. Universal programmable quantum circuit schemes to emulate an operator. The Journal of Chemical Physics. 137: 234112. PMID 23267476 DOI: 10.1063/1.4772185  0.79
2012 Yeh SH, Zhu J, Kais S. Population and coherence dynamics in light harvesting complex II (LH2). The Journal of Chemical Physics. 137: 084110. PMID 22938221 DOI: 10.1063/1.4747622  0.402
2012 Zhu J, Kais S, Aspuru-Guzik A, Rodriques S, Brock B, Love PJ. Multipartite quantum entanglement evolution in photosynthetic complexes. The Journal of Chemical Physics. 137: 074112. PMID 22920108 DOI: 10.1063/1.4742333  0.521
2012 Antillon E, Wehefritz-Kaufmann B, Kais S. Finite-size scaling for quantum criticality using the finite-element method. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 85: 036706. PMID 22587208 DOI: 10.1103/Physreve.85.036706  0.821
2012 Hoehn RD, Wang J, Kais S. Dimensional scaling treatment with relativistic corrections for stable multiply charged atomic ions in high-frequency super-intense laser fields. The Journal of Chemical Physics. 136: 034114. PMID 22280751 DOI: 10.1063/1.3673317  0.738
2012 Sadiek G, Xu Q, Kais S. Tuning entanglement and ergodicity in two-dimensional spin systems using impurities and anisotropy Physical Review a - Atomic, Molecular, and Optical Physics. 85. DOI: 10.1103/Physreva.85.042313  0.452
2012 Serra P, Kais S. Ground-state stability and criticality of two-electron atoms with screened Coulomb potentials using the B-splines basis set Journal of Physics B: Atomic, Molecular and Optical Physics. 45. DOI: 10.1088/0953-4075/45/23/235003  0.354
2012 Friedrich B, Kais S, Mazziotti D. Scaling mount impossible: A festschrift for Dudley Herschbach Molecular Physics. 110: 1537. DOI: 10.1080/00268976.2012.695049  0.516
2012 Cao Y, Daskin A, Frankel S, Kais S. Quantum circuit design for solving linear systems of equations Molecular Physics. 110: 1675-1680. DOI: 10.1080/00268976.2012.668289  0.788
2011 Wei Q, Kais S, Friedrich B, Herschbach D. Entanglement of polar symmetric top molecules as candidate qubits. The Journal of Chemical Physics. 135: 154102. PMID 22029292 DOI: 10.1063/1.3649949  0.641
2011 Daskin A, Kais S. Decomposition of unitary matrices for finding quantum circuits: application to molecular Hamiltonians. The Journal of Chemical Physics. 134: 144112. PMID 21495747 DOI: 10.1063/1.3575402  0.8
2011 Wei Q, Kais S, Friedrich B, Herschbach D. Entanglement of polar molecules in pendular states. The Journal of Chemical Physics. 134: 124107. PMID 21456645 DOI: 10.1063/1.3567486  0.665
2011 Zhu J, Kais S, Rebentrost P, Aspuru-Guzik A. Modified scaled hierarchical equation of motion approach for the study of quantum coherence in photosynthetic complexes. The Journal of Physical Chemistry. B. 115: 1531-7. PMID 21268616 DOI: 10.1021/Jp109559P  0.461
2011 Alkurtass B, Sadiek G, Kais S. Entanglement dynamics of one-dimensional driven spin systems in time-varying magnetic fields Physical Review a - Atomic, Molecular, and Optical Physics. 84. DOI: 10.1103/Physreva.84.022314  0.317
2011 Xu Q, Sadiek G, Kais S. Dynamics of entanglement in a two-dimensional spin system Physical Review a - Atomic, Molecular, and Optical Physics. 83. DOI: 10.1103/Physreva.83.062312  0.424
2011 Lemeshko M, Mustafa M, Kais S, Friedrich B. Supersymmetric factorization yields exact solutions to the molecular Stark-effect problem for stretched states Physical Review a - Atomic, Molecular, and Optical Physics. 83. DOI: 10.1103/Physreva.83.043415  0.413
2011 Lemeshko M, Mustafa M, Kais S, Friedrich B. Supersymmetry identifies molecular Stark states whose eigenproperties can be obtained analytically New Journal of Physics. 13. DOI: 10.1088/1367-2630/13/6/063036  0.342
2011 Daskin A, Kais S. Group leaders optimization algorithm Molecular Physics. 109: 761-772. DOI: 10.1080/00268976.2011.552444  0.763
2010 Wei Q, Kais S, Chen YP. Communications: Entanglement switch for dipole arrays. The Journal of Chemical Physics. 132: 121104. PMID 20370107 DOI: 10.1063/1.3366522  0.469
2010 Xu Q, Kais S, Naumov M, Sameh A. Exact calculation of entanglement in a 19-site two-dimensional spin system Physical Review a - Atomic, Molecular, and Optical Physics. 81. DOI: 10.1103/Physreva.81.022324  0.517
2009 Carignano MA, Mohammad A, Kais S. Temperature dependent electron binding in (H2O)8. The Journal of Physical Chemistry. A. 113: 10886-90. PMID 19722598 DOI: 10.1021/Jp901047Y  0.344
2009 Du S, Francisco JS, Kais S. Study of electronic structure and dynamics of interacting free radicals influenced by water. The Journal of Chemical Physics. 130: 124312. PMID 19334835 DOI: 10.1063/1.3100549  0.328
2009 Zhu J, Huang Z, Kais S. Simulated quantum computation of global minima Molecular Physics. 107: 2015-2023. DOI: 10.1080/00268970903117126  0.519
2009 Antillon E, Moy W, Wei Q, Kais S. Comparison study of finite element and basis set methods for finite size scaling Journal of Chemical Physics. 131. DOI: 10.1063/1.3207909  0.784
2008 Wei Q, Kais S, Herschbach D. Dimensional scaling treatment of stability of simple diatomic molecules induced by superintense, high-frequency laser fields. The Journal of Chemical Physics. 129: 214110. PMID 19063547 DOI: 10.1063/1.3027451  0.607
2008 Wang H, Kais S, Aspuru-Guzik A, Hoffmann MR. Quantum algorithm for obtaining the energy spectrum of molecular systems. Physical Chemistry Chemical Physics : Pccp. 10: 5388-93. PMID 18766235 DOI: 10.1039/B804804E  0.728
2008 Moy W, Carignano MA, Kais S. Finite element method for finite-size scaling in quantum mechanics. The Journal of Physical Chemistry. A. 112: 5448-52. PMID 18491879 DOI: 10.1021/Jp800346Z  0.715
2008 Ferrón A, Serra P, Kais S. Critical conditions for stable dipole-bound dianions. The Journal of Chemical Physics. 128: 044307. PMID 18247949 DOI: 10.1063/1.2822285  0.784
2008 Osenda O, Serra P, Kais S. Dynamics of entanglement for two-electron atoms International Journal of Quantum Information. 6: 303-316. DOI: 10.1142/S0219749908003463  0.338
2008 Oh S, Huang Z, Peskin U, Kais S. Entanglement, Berry phases, and level crossings for the atomic Breit-Rabi Hamiltonian Physical Review a - Atomic, Molecular, and Optical Physics. 78. DOI: 10.1103/Physreva.78.062106  0.322
2008 Sadiek G, Huang Z, Aldossary O, Kais S. Nuclear-induced time evolution of entanglement of two-electron spins in anisotropically coupled quantum dot Molecular Physics. 106: 1777-1786. DOI: 10.1080/00268970802290313  0.362
2008 Kais S, Handy NC. Molecular Physics: Preface Molecular Physics. 106: 191. DOI: 10.1080/00268970801892671  0.446
2008 Moy W, Kais S, Serra P. Finite size scaling with gaussian basis sets Molecular Physics. 106: 203-212. DOI: 10.1080/00268970701528714  0.734
2008 Ferrón A, Serra P, Kais S. Dimensional scaling for stability of two particles in a dipole field Chemical Physics Letters. 461: 127-130. DOI: 10.1016/J.Cplett.2008.06.061  0.328
2007 Wei Q, Kais S, Herschbach D. Dimensional scaling treatment of stability of atomic anions induced by superintense, high-frequency laser fields. The Journal of Chemical Physics. 127: 094301. PMID 17824733 DOI: 10.1063/1.2768037  0.613
2007 Wang H, Kais S. Quantum entanglement and electron correlation in molecular systems Israel Journal of Chemistry. 47: 59-65. DOI: 10.1560/Ijc.47.1.59  0.719
2007 Wei Q, Kais S, Moiseyev N. Frequency-dependent stabilization of He- by a superintense laser field Physical Review a - Atomic, Molecular, and Optical Physics. 76. DOI: 10.1103/Physreva.76.013407  0.407
2007 Peskin U, Huang Z, Kais S. Internal entanglement amplification by external interactions Physical Review a - Atomic, Molecular, and Optical Physics. 76. DOI: 10.1103/Physreva.76.012102  0.348
2006 Wei Q, Kais S, Moiseyev N. New stable multiply charged negative atomic ions in linearly polarized superintense laser fields. The Journal of Chemical Physics. 124: 201108. PMID 16774311 DOI: 10.1063/1.2207619  0.446
2006 Wang H, Kais S. Entanglement and quantum phase transition in a one-dimensional system of quantum dots with disorder International Journal of Quantum Information. 4: 827-835. DOI: 10.1142/S0219749906002183  0.725
2006 Huang Z, Kais S. Entanglement evolution of one-dimensional spin systems in external magnetic fields Physical Review a - Atomic, Molecular, and Optical Physics. 73. DOI: 10.1103/Physreva.73.022339  0.31
2006 Huang Z, Wang H, Kais S. Entanglement and electron correlation in quantum chemistry calculations Journal of Modern Optics. 53: 2543-2558. DOI: 10.1080/09500340600955674  0.725
2006 Kais S, Wenger C, Wei Q. Quantum criticality at the infinite complete basis set limit: A thermodynamic analog of the Yang and Lee theorem Chemical Physics Letters. 423: 45-49. DOI: 10.1016/J.Cplett.2006.03.035  0.548
2006 Wang H, Kais S. Quantum teleportation in one-dimensional quantum dots system Chemical Physics Letters. 421: 338-342. DOI: 10.1016/J.Cplett.2006.01.093  0.72
2005 Huang Z, Kais S. Dynamics of entaglement for one-dimensional spin system in an external time-dependent magnetic field International Journal of Quantum Information. 3: 483-500. DOI: 10.1142/S0219749905001055  0.324
2005 Huang Z, Kais S. Entanglement as measure of electron-electron correlation in quantum chemistry calculations Chemical Physics Letters. 413: 1-5. DOI: 10.1016/J.Cplett.2005.07.045  0.459
2005 Shi Q, Kais S. Discontinuity of Shannon information entropy for two-electron atoms Chemical Physics. 309: 127-131. DOI: 10.1016/J.Chemphys.2004.08.020  0.339
2004 Shi Q, Kais S. Finite size scaling for the atomic Shannon-information entropy. The Journal of Chemical Physics. 121: 5611-7. PMID 15366983 DOI: 10.1063/1.1785773  0.362
2004 Shi Q, Kais S, Herschbach DR. Electron localization-delocalization transitions in dissociation of the C4- anion: a large-D analysis. The Journal of Chemical Physics. 120: 2199-207. PMID 15268358 DOI: 10.1063/1.1637581  0.535
2004 Ferrón A, Serra P, Kais S. Finite-size scaling for critical conditions for stable quadrupole-bound anions. The Journal of Chemical Physics. 120: 8412-9. PMID 15267765 DOI: 10.1063/1.1695552  0.765
2004 Wang J, Kais S. Scaling of entanglement at a quantum phase transition for a two-dimensional array of quantum dots Physical Review a - Atomic, Molecular, and Optical Physics. 70: 022301-1-022301-4. DOI: 10.1103/Physreva.70.022301  0.442
2004 Huang Z, Osenda O, Kais S. Entanglement of formation for one-dimensional magnetic systems with defects Physics Letters, Section a: General, Atomic and Solid State Physics. 322: 137-145. DOI: 10.1016/J.Physleta.2004.01.022  0.351
2004 Shi Q, Kais S, Herschbach DR. Electron localization-delocalization transitions in dissociation of the C 4 - anion: A large-D analysis Journal of Chemical Physics. 120: 2199-2207.  0.44
2003 Shi Q, Belair SD, Francisco JS, Kais S. On the interactions between atmospheric radicals and cloud droplets: a molecular picture of the interface. Proceedings of the National Academy of Sciences of the United States of America. 100: 9686-90. PMID 12904576 DOI: 10.1073/Pnas.1733696100  0.778
2003 WANG J, KAIS S. SCALING OF ENTANGLEMENT IN FINITE ARRAYS OF EXCHANGE-COUPLED QUANTUM DOTS International Journal of Quantum Information. 1: 375-386. DOI: 10.1142/S0219749903000267  0.455
2003 Osenda O, Huang Z, Kais S. Tuning the entanglement for a one-dimensional magnetic system with anisotropic coupling and impurities Physical Review a - Atomic, Molecular, and Optical Physics. 67: 623211-623214. DOI: 10.1103/Physreva.67.062321  0.328
2003 Serra P, Kais S. Finite size scaling for critical conditions for stable dipole-bound anions Chemical Physics Letters. 372: 205-209. DOI: 10.1016/S0009-2614(03)00371-3  0.331
2003 Wang J, Kais S. Combined effects of disorders and electron-electron interactions upon metal-insulator transition in 2D nonbipartite lattice Physics Letters, Section a: General, Atomic and Solid State Physics. 316: 265-270. DOI: 10.1016/J.Physleta.2003.08.002  0.301
2003 Wang JX, Kais S. Metal-insulator transition in the hubbard model on a triangular lattice with disorders: Renormalization group approach International Journal of Quantum Chemistry. 93: 360-374. DOI: 10.1002/Qua.10572  0.362
2002 Shi Q, Kais S. The repulsive Coulomb barrier along a dissociation path of the BeC(2-)(4) dianion. Journal of the American Chemical Society. 124: 11723-9. PMID 12296739 DOI: 10.1021/Ja020116Q  0.301
2002 Wang JX, Kais S, Levine RD. Real-space renormalization group study of the Hubbard model on anon-bipartite lattice International Journal of Molecular Sciences. 3: 4-16. DOI: 10.3390/I3010004  0.459
2002 Shi Q, Kais S. Lifetimes of metastable spherical carbon cluster dianions Molecular Physics. 100: 475-481. DOI: 10.1080/00268970110086327  0.305
2002 Belair SD, Kais S, Francisco JS. Potential energy surface for the hydroperoxy and water (HO2·H2O) radical complex Molecular Physics. 100: 247-253. DOI: 10.1080/00268970110086309  0.769
2002 Kais S. Finite size scaling in quantum mechanics 2002 International Conference On Computational Nanoscience and Nanotechnology - Iccn 2002. 474-477. DOI: 10.1021/Jp9820572  0.458
2002 Wang JX, Kais S, Remade F, Levine RD. Size effects in the electronic properties of finite arrays of exchange-coupled quantum dots Journal of Physical Chemistry B. 106: 12847-12850. DOI: 10.1021/Jp026452A  0.568
2001 Shi Q, Kais S, Remacle F, Levine RD. Electronic isomerism: symmetry breaking and electronic phase diagrams for diatomic molecules at the large-dimension limit. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 2: 434-42. PMID 23696527 DOI: 10.1002/1439-7641(20010716)2:7<434::Aid-Cphc434>3.0.Co;2-J  0.477
2001 Sauerwein RA, Kais S. Quantum criticality for few-body systems: path-integral approach. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 64: 056120. PMID 11736027 DOI: 10.1103/Physreve.64.056120  0.428
2001 Serra P, Kais S, Moiseyev N. Crossover phenomena and resonances in quantum systems Physical Review a. Atomic, Molecular, and Optical Physics. 64: 062502/1-062502/6. DOI: 10.1103/Physreva.64.062502  0.424
2001 Shi Q, Kais S, Remacle F, Levine RD. On the crossing of electronic energy levels of diatomic molecules at the large-D limit Journal of Chemical Physics. 114: 9697-9705. DOI: 10.1063/1.1372181  0.491
2001 Sauerwein RA, Kais S. Quantum critical phenomena in the Schrödinger formulation: Mapping to classical lattices Chemical Physics Letters. 333: 451-458. DOI: 10.1016/S0009-2614(00)01411-1  0.44
2001 Shi Q, Kais S. Quantum criticality at the large-dimensional limit: Three-body Coulomb systems International Journal of Quantum Chemistry. 85: 307-314. DOI: 10.1002/Qua.1542  0.385
2001 Sergeev AV, Kais S. Resonance states of atomic anions International Journal of Quantum Chemistry. 82: 255-261. DOI: 10.1002/Qua.1047  0.358
2000 Kais S, Serra P. Quantum critical phenomena and stability of atomic and molecular ions International Reviews in Physical Chemistry. 19: 97-121. DOI: 10.1080/014423500229873  0.401
2000 Shi Q, Kais S. Finite size scaling for critical parameters of simple diatomic molecules Molecular Physics. 98: 1485-1493. DOI: 10.1080/002689700419716  0.378
2000 Serra P, Kais S, Neirotti JP. Finite-size scaling method for the stability of atomic and molecular ions Physica a: Statistical Mechanics and Its Applications. 283: 65-73. DOI: 10.1016/S0378-4371(00)00129-1  0.365
2000 Serra P, Kais S. Data collapse for the Schrödinger equation Chemical Physics Letters. 319: 273-277. DOI: 10.1016/S0009-2614(00)00139-1  0.33
2000 Ladadwa I, Kais S. Critical behavior of electron impact ionization of atoms International Journal of Quantum Chemistry. 80: 575-581. DOI: 10.1002/1097-461X(2000)80:4/5<575::Aid-Qua6>3.0.Co;2-F  0.323
1999 Sergeev AV, Kais S. Variational principle for critical parameters of quantum systems Journal of Physics a: Mathematical and General. 32: 6891-6896. DOI: 10.1088/0305-4470/32/39/312  0.381
1999 Kais S, Neirotti JP, Serra P. Phase transitions and the stability of atomic and molecular ions International Journal of Mass Spectrometry. 182: 23-29. DOI: 10.1016/S1387-3806(98)14224-0  0.384
1998 Serra P, Neirotti JP, Kais S. Electronic structure critical parameters for the lithium isoelectronic series Physical Review Letters. 80: 5293-5296. DOI: 10.1103/Physrevlett.80.5293  0.34
1998 Shi Q, Zhang S, Cho H, Xu K, Li JM, Kais S. Relativistic structure description and relaxation effect on krypton 4p5(2P3/2,1/2)5s excitation at small squared momentum transfer Journal of Physics B: Atomic, Molecular and Optical Physics. 31: 4123-4135. DOI: 10.1088/0953-4075/31/18/010  0.334
1998 Neirotti JP, Serra P, Kais S. Critical parameters for the heliumlike atoms: A phenomenological renormalization study Journal of Chemical Physics. 108: 2765-2770. DOI: 10.1063/1.475701  0.378
1998 Murthy G, Kais S. Renormalization group approach for electronic excitations in atoms Chemical Physics Letters. 290: 199-204. DOI: 10.1016/S0009-2614(98)00499-0  0.31
1997 Neirotti JP, Serra P, Kais S. Electronic structure critical parameters from finite-size scaling Physical Review Letters. 79: 3142-3145. DOI: 10.1103/Physrevlett.79.3142  0.38
1997 Serra P, Stanton AF, Kais S. Pivot method for global optimization Physical Review E. 55: 1162-1165. DOI: 10.1103/Physreve.55.1162  0.309
1997 Serra P, Kais S. Phase transitions for N-electron atoms at the large-dimension limit Physical Review a - Atomic, Molecular, and Optical Physics. 55: 238-247. DOI: 10.1103/Physreva.55.238  0.323
1997 Serra P, Kais S. Mean field phase diagrams for one-electron molecules Journal of Physics a: Mathematical and General. 30: 1483-1493. DOI: 10.1088/0305-4470/30/5/016  0.34
1997 Germann TC, Kais S. Dimensional perturbation theory for Regge poles Journal of Chemical Physics. 106: 599-604. DOI: 10.1063/1.473399  0.34
1996 Serra P, Kais S. Critical Phenomena for Electronic Structure at the Large-Dimension Limit. Physical Review Letters. 77: 466-469. PMID 10062818 DOI: 10.1103/Physrevlett.77.466  0.318
1995 Kais S, Bleil R. Charge renormalization at the large-D limit for N-electron atoms and weakly bound systems The Journal of Chemical Physics. 102: 7472-7478. DOI: 10.1063/1.469059  0.305
1995 Bleil R, Kais S. Charge renormalization at the large-D limit for atoms and molecules International Journal of Quantum Chemistry. 56: 349-359. DOI: 10.1002/Qua.560560839  0.323
1994 Kais S, Herschbach DR. The 1/Z expansion and renormalization of the large-dimension limit for many-electron atoms The Journal of Chemical Physics. 100: 4367-4376. DOI: 10.1063/1.466319  0.535
1994 Kais S, Germann TC, Herschbach DR. Large-dimension limit yields generic reduced potential curves for H2 +, H2, HHe+, and He2+ Journal of Physical Chemistry. 98: 11015-11017. DOI: 10.1021/J100094A006  0.478
1994 Kais S, Sung SM, Herschbach DR. Large-Z and -N dependence of atomic energies from renormalization of the large-dimension limit International Journal of Quantum Chemistry. 49: 657-674. DOI: 10.1002/Qua.560490511  0.522
1993 Kais S, Sung SM, Herschbach DR. Atomic energies from renormalization of the large-dimension limit The Journal of Chemical Physics. 99: 5184-5196. DOI: 10.1063/1.466020  0.525
1993 Kais S, Herschbach DR, Handy NC, Murray CW, Laming GJ. Density functionals and dimensional renormalization for an exactly solvable model The Journal of Chemical Physics. 99: 417-425. DOI: 10.1063/1.465765  0.623
1993 Germann TC, Kais S. Large order dimensional perturbation theory for complex energy eigenvalues The Journal of Chemical Physics. 99: 7739-7747. DOI: 10.1063/1.465703  0.336
1993 Kais S, Herschbach DR. Dimensional scaling for quasistationary states The Journal of Chemical Physics. 98: 3990-3998. DOI: 10.1063/1.464027  0.56
1993 Kais S, Beltrame G. Dimensional scaling for Regge trajectories Journal of Physical Chemistry. 97: 2453-2456. DOI: 10.1021/J100112A054  0.38
1992 Kais S, Frantz DD, Herschbach DR. Electronic tunneling in H+ 2 evaluated from the large-dimension limit Chemical Physics. 161: 393-402. DOI: 10.1016/0301-0104(92)80155-O  0.57
1991 Loeser JG, Zhen Z, Kais S, Herschbach DR. Dimensional interpolation of hard sphere virial coefficients The Journal of Chemical Physics. 95: 4525-4544. DOI: 10.1063/1.461776  0.489
1991 Kais S, Morgan JD, Herschbach DR. Electronic tunneling and exchange energy in the D-dimensional hydrogen-molecule ion The Journal of Chemical Physics. 95: 9028-9041. DOI: 10.1063/1.461182  0.56
1990 Kais S, Levine RD. Coherent states for the Morse oscillator. Physical Review. A. 41: 2301-2305. PMID 9903356 DOI: 10.1103/Physreva.41.2301  0.498
1989 Kais S, Cohen M, Levine RD. The perturbed hydrogen atom: Some new algebraic results Journal of Physics a: Mathematical and General. 22: 803-809. DOI: 10.1088/0305-4470/22/7/012  0.488
1989 Kais S, Herschbach DR, Levine RD. Dimensional scaling as a symmetry operation The Journal of Chemical Physics. 91: 7791-7796. DOI: 10.1063/1.457247  0.599
1987 Kais S, Levine RD. Directed states of molecules The Journal of Physical Chemistry. 91: 5462-5465. DOI: 10.1021/J100305A017  0.458
1986 Kais S, Levine RD. Square-well potential by an algebraic approach. Physical Review. A. 34: 4615-4620. PMID 9897842 DOI: 10.1103/Physreva.34.4615  0.482
1986 Gilmore R, Kais S, Levine RD. Quantum cusp. Physical Review. A. 34: 2442-2452. PMID 9897532 DOI: 10.1103/PhysRevA.34.2442  0.514
1986 Kais S, Kim SK. Unstable bound states of the Dirac equation by an algebraic approach Physics Letters A. 114: 165-167. DOI: 10.1016/0375-9601(86)90197-0  0.31
1985 Kais S. Unstable bound states by an algebraic method Physics Letters A. 112: 269-270. DOI: 10.1016/0375-9601(85)90336-6  0.311
1984 Cohen M, Kais S. Rayleigh-Schrodinger perturbation theory with a strong perturbation: The quadratic Zeeman effect in hydrogen Journal of Physics B: Atomic and Molecular Physics. 17: 3049-3055. DOI: 10.1088/0022-3700/17/15/018  0.32
1984 Cohen M, Kais S. Scaling, renormalisation and accuracy of perturbation calculations Chemical Physics Letters. 105: 295-298. DOI: 10.1016/0009-2614(84)85033-2  0.306
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