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Publications

JCC



Please see my google scholar page for citation statistics.


30) D. Castaldo, S. Jahangiri, A. Migliore, J.M. Arrazola, S. Corni, A differentiable quantum phase estimation algorithm, arXiv:2406.14113, 2024

29) D. Castaldo, S. Jahangiri, A. Delgado, S. Corni, Quantum simulation of molecules in solution, J. Chem. Theor. Comp., 18, 7457, 2022

28) A. Delgado, P. Casares, R. Dos Reis, M.S. Zini, R. Campos, N. Cruz-Hernández, A. Voigt, A. Lowe, S. Jahangiri, M. A. Martin-Delgado, J. E. Mueller, J. M. Arrazola, Simulating key properties of lithium-ion batteries with a fault-tolerant quantum computer, Phys. Rev. A, 106, 032428, 2022

27) J. Ceroni, A. Delgado, S. Jahangiri, J.M. Arrazola, Tailgating quantum circuits for high-order energy derivatives, arXiv:2207.11274, 2022

26) J.M. Arrazola, O. Di Matteo, N. Quesada, S. Jahangiri, A. Delgado, N. Killoran, Universal quantum circuits for quantum chemistry, Quantum, 6, 742, 2022

25) J.M. Arrazola, S. Jahangiri, A. Delgado, J. Ceroni, J. Izaac, A. Száva, U. Azad, R.A. Lang, Z. Niu, O. Di Matteo, R. Moyard, J. Soni, M. Schuld, R.A. Vargas-Hernández, T. Tamayo-Mendoza, C.Y. Lin, A. Aspuru-Guzik, N. Killoran, Differentiable quantum computational chemistry with PennyLane, arXiv:2111.09967, 2021

24) A. Delgado, J.M. Arrazola, S. Jahangiri, Z. Niu, J. Izaac, C. Roberts, N. Killoran, Variational quantum algorithm for molecular geometry optimization, Phys. Rev. A, 104, 052402, 2021

23) J.M. Arrazola, V. Bergholm, K. Bradler, T.R. Bromley, M.J. Collins, I. Dhand, A. Fumagalli, T. Gerrits, A. Goussev, L.G. Helt, J. Hundal, T. Isacsson, R.B. Israel, J. Izaac, S. Jahangiri, R. Janik, N. Killoran, S.P. Kumar, J. Lavoie, A.E. Lita, D.H. Mahler, M. Menotti, B. Morrison1, S.W. Nam, L. Neuhaus, H.Y. Qi, N. Quesada, A. Repingon, K.K. Sabapathy, M. Schuld, D. Su, J. Swinarton, A. Szava1, K. Tan, P. Tan, V.D. Vaidya, Z. Vernon, Z. Zabaneh, and Y. Zhang, Quantum Circuits with Many Photons on a Programmable Nanophotonic Chip, Nature, 591, 54, 2021.

22) S. Jahangiri, J.M. Arrazola, A. Delgado, Quantum Algorithm for Simulating Single-Molecule Electron Transport, J. Phys. Chem. Lett. 12, 1256, 2021.

21) S. Tahmasebi, S. Jahangiri, N.J. Mosey, G. Jerkiewicz, A. Mark, S. Cheng, G. Botton, S. Baranton, C.e Coutanceau, Remarkably Stable Nickel Hydroxide Nanoparticles for Miniaturized Electrochemical Energy Storage, ACS Appl. Energy Mater. 3, 7294, 2020.

20) S. Jahangiri, J.M. Arrazola, N. Quesada, A. Delgado, Quantum Algorithm for Simulating Molecular Vibrational Excitations, Phys. Chem. Chem. Phys. 22, 25528, 2020.

19) T.R. Bromley, J.M. Arrazola, S. Jahangiri, J. Izaac, N. Quesada, A. Delgado, Applications of Near-term Photonic Quantum Computers: Software and Algorithms, Quantum Sci. Technol. 5, 034010, 2020.

18) S. Jahangiri, J.M. Arrazola, N. Quesada, N. Killoran, Point Processes with Gaussian Boson Sampling, Phys. Rev. E, 101, 022134, 2020.

17) S. Tahmasebi, S. Jahangiri, N.J. Mosey, G, Jerkiewicz, S. Baranton, C. Coutanceau, Y. Furuya, A. Ohma, Oxidation and Corrosion of Platinum-Nickel and Platinum-Cobalt Nanoparticles in an Aqueous Acidic Medium, ACS Appl. Energy Mater. 2, 7019, 2019.

16) M.S. Mahboub, S. Jahangiri, and H. Farrokhpour, Molecular Dynamics Simulation of the Hydration of Adenosine Phosphates, J. Mol. Liq. 283, 359, 2019.

15) V. Bergholm, J. Izaac, M. Schuld, C. Gogolin, M.S. Alam, S. Ahmed, J.M. Arrazola, C. Blank, A. Delgado, S. Jahangiri, K. McKiernan, J.J. Meyer, Z. Niu, A. Szava, N. Killoran, PennyLane: Automatic Differentiation of Hybrid Quantum-classical Computations, arXiv:1811.04968, 2018.

14) S. Jahangiri, N.J. Mosey, Computational Investigation of the Mechanism of Oxygen Evolution Reaction Catalysed by Nickel (Oxy)hydroxide, J. Phys. Chem. C, 122, 25785, 2018.

13) S. Jahangiri, Q.K. Timerghazin, H. Jiang, A.M. English, G.H. Peslherbe, Dramatic C--C Bond Activation on Protonation of the Persistent Nitroxyl Radical TEMPO, Int. J. Mass. Spectrom. 429, 182, 2018.

12) S. Jahangiri, N.J. Mosey, Molecular Structure and Interactions of Water Intercalated in Nickel Hydroxides, Phys. Chem. Chem. Phys. 20, 11444, 2018.

11) S. Jahangiri, N.J. Mosey, Density-Functional Tight-Binding Investigation of the Structure, Stability and Material Properties of Nickel hydroxide Nanotubes, Nanotechnology, 29, 025708, 2017.

10) S. Jahangiri, N.J. Mosey, Effects of Reduced Dimensionality on the Properties of Magnesium Hydroxide and Calcium Hydroxide Nanostructures, Phys. Chem. Chem. Phys. 19, 1963, 2017.

9) S. Jahangiri, G.S. Heverly-Coulson, N.J. Mosey, Development and Assessment of Atomistic Models for Predicting Static Friction Coefficient, Phys. Rev. B, 94, 075406, 2016.

8) S. Jahangiri, H. Behnejad, An Analytical Equation of State for Ammonia at High Temperatures and High Pressures, J. Mol. Liq. 222, 733, 2016.

7) S. Jahangiri, V. Legris-Falardeau, G.H. Peslherbe, Computational Investigation of the Hydration of Alkyl Diammonium Cations in Water Clusters, Chem. Phys. Lett. 621, 85, 2015.

6) S. Jahangiri, L. Cai, G.H. Peslherbe, Performance of Density-Functional Tight-Binding Models in Describing Hydrogen-Bonded Anionic-Water Clusters, J. Comput. Chem. 35, 1707, 2014.

5) M.M. Alavianmehr, H. Behnejad, S. Jahangiri, S.M. Hosseini, Thermodynamic Properties of Refrigerants from SM Sound Velocity-based Equation of State, Phys. Chem. Liq. 52, 546, 2014.

4) S. Jahangiri, G. Dolgonos, T. Frauenheim, G.H. Peslherbe, Parameterization of Halogens for the Density-Functional Tight-Binding Description of Halide Hydration, J. Chem. Theory Comput. 9, 3321, 2013.

3) S. Jahangiri, S.M. Mercer, P.G. Jessop, G.H. Peslherbe, Computational Investigation of the Hydration of Alkyl Diammonium Chlorides and Their Effect on Tetrahydrofuran/Water Phase Separation, J. Phys. Chem. B, 117, 8010, 2013.

2) S.M. Mercer, T. Robert, D.V. Dixon, C. Chen, Z. Ghoshouni, J.R. Harjani, S. Jahangiri, G.H. Peslherbe, P.G. Jessop, Design, Synthesis, and Solution Behaviour of Small Polyamines as Switchable Water Additives, Green Chem. 14, 832, 2012.

1) S. Jahangiri, M. Taghikhani, H. Behnejad, S.J. Ahmadi, Theoretical Investigation of Imidazolium Based Ionic Liquid/Alcohol Mixture: A Molecular Dynamic Simulation, Mol. Phys. 106, 1015, 2008.




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