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    Theory and Methods Developing the methods and algorithms to make the quantum many-body problem tractable.

    Quantum Materials Combining chemical realism with many-electron physics to develop predictive theories of many-electron properties.

    Quantum Dynamics and Control Using the quantum nature of light to understand and control quantum phenomena in complex systems.

    Software Developing, optimizing and supporting codes that implement key algorithms for many-body quantum systems.

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Flatiron Institute Computational Quantum Physics

Computational Quantum Physics: Publications

Read the latest papers published by our researchers.

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  1. Inter-orbital singlet pairing in Sr

    arxiv:2105.08448, 2021

    Stefan Käser, Hugo U. R. Strand, N. Wentzell, A. Georges, O. Parcollet, and Philipp Hansmann

  2. Minimally Entangled Typical Thermal States Algorithms for Finite Temperature Matsubara Green Functions

    arxiv:2107.13941, 2021

    D. Bauernfeind, Miles E. Stoudenmire, and O. Parcollet

  3. Toward Confined Carbyne with Tailored Properties

    arxiv:, January 1, 2021

    Lei Shi, Ryosuke Senga, Kazu Suenaga, Hiromichi Kataura, Takeshi Saito, Alejandro Pérez Paz, et al.

  4. Mott insulating states with competing orders in the triangular lattice Hubbard model

    arxiv:2102.12904, 2021

    A. Wietek, R. Rossi, Fedor Šimkovic, Marcel Klett, Philipp Hansmann, M. Ferrero, et al.

  5. Skewed Non-Fermi Liquids and the Seebeck Effect

    arxiv:2102.13224, 2021

    A. Georges and Jernej Mravlje

  6. Long-lived phonon polaritons in hyperbolic materials

    arxiv:, 2021

    Guangxin Ni, Alexander McLeod, Zhiyuan Sun, Joseph Matson, Leo Lo, Daniel Rhodes, et al.

  7. Quantum Criticality in Twisted Transition Metal Dichalcogenides

    arxiv:2103.09796, 2021

    Augusto Ghiotto, En-Min Shih, Giancarlo S. S. G. Pereira, Daniel A. Rhodes, Bumho Kim, Jiawei Zang, et al.

  8. Fizeau Drag in Graphene Plasmonics

    arxiv:2103.10831, 2021

    Y. Dong, L. Xiong, I. Y. Phinney, Z. Sun, R. Jing, A. S. McLeod, et al.

  9. Energy Landscape analysis of metal-insulator transitions: theory and application to Ca

    arxiv:2105.02271, 2021

    Alexandru B. Georgescu and Andrew J. Millis

  10. Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties

    The Journal of Physical Chemistry Letters, arxiv:2011.03284, December 29, 2020

    Dominik Sidler, Christian Schäfer, Michael Ruggenthaler, and A. Rubio

  11. Comparative many-body study of Pr

    Physical Review B, arxiv:2010.02856, December 21, 2020

    Jonathan Karp, A. Hampel, Zingl, Manuel, Antia S. Botana, Hyowon Park, Michael R. Norman, et al.

  12. Hyperbolic Cooper-Pair Polaritons in Planar Graphene/Cuprate Plasmonic Cavities

    Nano Letters, December 15, 2020

    Michael E. Berkowitz, Brian S. Y. Kim, Guangxin Ni, Alexander S. McLeod, Chiu Fan Bowen Lo, Zhiyuan Sun, et al.

  13. Quantum Quasi-Monte Carlo algorithm for out-of-equilibrium Green functions at long times

    arXiv:2012.02803, December 4, 2020

    C. Bertrand, D. Bauernfeind, P. Dumitrescu, Marjan Maček, Xavier Waintal, and O. Parcollet

  14. Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States

    Physical Review X, arxiv:2005.04477, December 2, 2020

    Tor S. Haugland, Enrico Ronca, Eirik F. Kjøonstad, Rubio, Angel, and Henrik Koch

  15. Quantum Information and Algorithms for Correlated Quantum Matter

    arxiv:, December 1, 2020

    Kade Head-Marsden, J. Flick, Christopher J. Ciccarino, and Prineha Narang

  16. Polytypism, Anisotropic Transport, and Weyl Nodes in the van der Waals Metal TaFeTe4

    arxiv:, December 1, 2020

    Ren A. Wiscons, Yeongsu Cho, Sae Young Han, Avalon H. Dismukes, Elena Meirzadeh, Colin Nuckolls, et al.

  17. Nonmonotonic Temperature-Dependent Dissipation at Nonequilibrium in Atomically Thin Clean-Limit Superconductors

    arxiv:, December 1, 2020

    Avishai Benyamini, Dante M. Kennes, Evan J. Telford, Kenji Watanabe, Takashi Taniguchi, Andrew J. Millis, et al.

  18. Engineering quantum materials with chiral optical cavities

    arxiv:, November 1, 2020

    Hannes Hübener, Umberto De Giovannini, Christian Schäfer, Johan Andberger, Michael Ruggenthaler, Jerome Faist, et al.

  19. Ultrafast Real-Time Dynamics of CO Oxidation over an Oxide Photocatalyst

    arxiv:, November 1, 2020

    Michael Wagstaffe, Lukas Wenthaus, Adrian Dominguez-Castro, Simon Chung, Guilherme Dalla Lana Semione, Steffen Palutke, et al.

  20. Polariton panorama

    arxiv:, November 1, 2020

    D. N. Basov, Ana Asenjo-Garcia, P. James Schuck, Xiaoyang Zhu, and A. Rubio

  21. Dynamical amplification of electric polarization through nonlinear phononics in 2D SnTe

    arxiv:, November 1, 2020

    Dongbin Shin, Shunsuke A. Sato, Hannes Hübener, Umberto De Giovannini, Noejung Park, and A. Rubio

  22. Quantitative sampling of atomic-scale electromagnetic waveforms

    arxiv:, November 1, 2020

    D. Peller, C. Roelcke, L. Z. Kastner, T. Buchner, A. Neef, J. Hayes, et al.

  23. Regional Embedding Enables High-Level Quantum Chemistry for Surface Science

    arxiv:2010.00527, October 1, 2020

    Bryan T. G. Lau, Gerald Knizia, and Timothy C. Berkelbach

  24. Sr\(_2\)MoO\(_4\) and Sr\(_2\)RuO\(_4\): Disentangling the Roles of Hund's and van Hove Physics

    Physical Review Letters, arxiv:2004.12515, 2020

    Jonathan Karp, Max Bramberger, Martin Grundner, Ulrich Schollwöck, Millis, Andrew J., and Zingl, Manuel

  25. Stripes, Antiferromagnetism, and the Pseudogap in the Doped Hubbard Model at Finite Temperature

    arXiv:2009.10736 [cond-mat.str-el], September 22, 2020

    A. Wietek, Y. He, A. Georges, S. White, and M. Stoudenmire

  26. Wavefunction positivization via automatic differentiation

    Phys. Rev. Research, arXiv:1906.04654, September 2, 2020

    G. Torlai, Juan Carrasquilla, M. Fishman, Roger G. Melko, and Matthew P. A. Fisher

  27. Giant Exciton Mott Density in Anatase TiO2

    arxiv:, September 1, 2020

    Edoardo Baldini, Tania Palmieri, Adriel Dominguez, A. Rubio, and Majed Chergui

  28. Entangled photon assisted multidimensional nonlinear optics of exciton–polaritons

    arxiv:, September 1, 2020

    Arunangshu Debnath and A. Rubio

  29. Loop-gas description of the localized-magnon states on the kagome lattice with open boundary conditions

    arXiv:2008.10614, August 26, 2020

    Andreas Honecker, Johannes Richter, Jürgen Schnack, and A. Wietek

  30. Light-induced d-wave superconductivity through Floquet-engineered Fermi surfaces in cuprates

    Phys. Rev. B, arXiv:1808.04655, August 8, 2020

    D. M. Kennes, M. Claassen, M. A. Sentef, and C. Karrasch

  31. Active space approaches combining coupled-cluster and perturbation theory for ground states and excited states

    arxiv:, August 1, 2020

    Malte F. Lange and Timothy C. Berkelbach

  32. Quantum Quasi-Monte Carlo Technique for Many-Body Perturbative Expansions

    Phys. Rev. Lett., arXiv:2002.12372, July 22, 2020

    Marjan Maček, P. Dumitrescu, C. Bertrand, Bill Triggs, O. Parcollet, and Xavier Waintal

  33. Boson Slave Solver (BoSS) v1.1

    arxiv:2007.11061, July 21, 2020

    A. Georgescu, Minjung Kim, and Sohrab Ismail-Beigi

  34. Absence of superconductivity in the pure two-dimensional Hubbard model

    Phys. Rev. X, arXiv:1910.08931, July 21, 2020

    Mingpu Qin, Chia-Min Chung, H. Shi, Ettore Vitali, Claudius Hubig, Ulrich Schollwöck, et al.

  35. Nonlinear spectroscopy of collective modes in excitonic insulator

    arxiv:2007.09749, July 19, 2020

    D. Golez, Zhiyuan Sun, Yuta Murakami, A. Georges, and A. Millis

  36. Femtosecond exciton dynamics in WSe2 optical waveguides

    arxiv:, July 1, 2020

    Aaron J. Sternbach, Simone Latini, Sanghoon Chae, Hannes Hübener, Umberto De Giovannini, Yinming Shao, et al.

  37. SU(3)_1 Chiral Spin Liquid on the Square Lattice: a View from Symmetric PEPS

    Physical Review Letters, arXiv:1912.13393 [cond-mat.str-el], June 29, 2020

    J.Y. Chen, S. Capponi, A. Wietek, M. Mambrini, N. Schuch, and D. Poilblanc

  38. Many-body Electronic Structure of NdNiO2 and CaCuO2

    Phys. Rev. X, arXiv:2001.06441, June 17, 2020

    Jonathan Karp, Antia S. Botana, Michael R. Norman, Hoyowon Park, M. Zingl, and A. Millis

  39. Precise measurement of quantum observables with neural-network estimators

    Physical Review Research, arXiv:1910.07596, June 17, 2020

    G. Torlai, Guglielmo Mazzola, G. Carleo, and Antonio Mezzacapo

  40. Quantum process tomography with unsupervised learning and tensor networks

    arXiv:2006.02424, June 3, 2020

    G. Torlai, Christopher J. Wood, Atithi Acharya, G. Carleo, Juan Carrasquilla, and Leandro Aolita

  41. Revisiting the Effect of f-Functions in Predicting the Right Reaction Mechanism for Hypervalent Iodine Reagents

    arXiv:2005.09831, 2020

    Tian-Yu Sun, Kai Chen, Huakang Zhou, Tingting You, Penggang Yin, and X. Wang

  42. Nature of Symmetry Breaking at the Excitonic Insulator Transition: Ta_2 NiSe_5

    Physical Review Letters, arXiv:1911.11835, May 12, 2020

    Giacomo Mazza, Malte Rösner, Lukas Windgätter, Simone Latini, Hannes Hübener, A. Millis, et al.

  43. Long-Lived Interacting Phases of Matter Protected by Multiple Time-Translation Symmetries in Quasiperiodically Driven Systems

    Phys. Rev. X, arXiv:1910.03584, May 11, 2020

    Dominic V. Else, Wen Wei Ho, and P. Dumitrescu

  44. Natural evolution strategies and variational Monte Carlo

    Machine Learning: Science and Technology, arxiv:2005.04447, May 9, 2020

    Tianchen Zhao, G. Carleo, J. Stokes, and Shravan Veerapaneni

  45. Electron ratchets: State of the field and future challenges

    arxiv:, May 1, 2020

    Bryan T. G. Lau and Ofer Kedem

  46. Improved Fast Randomized Iteration Approach to Full Configuration Interaction

    arXiv:2005.00654, May 1, 2020

    S. M. Greene, R. J. Webber, J. Weare, and T. Berkelbach

  47. Observing photo-induced chiral edge states of graphene nanoribbons in pump-probe spectroscopies

    arXiv:2005.00684, 2020

    Y. Chen, Y. Wang, M. Claassen, B. Moritz, and T. P. Devereaux

  48. Sr2MoO4 and Sr2RuO4: Disentangling the Roles of Hund's and van Hove Physics

    arXiv:2004.12515, April 27, 2020

    Jonathan Karp, Max Bramberger, Martin Grunder, Ulrich Schollwöck, A. Millis, and M. Zingl

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