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  1. STENCIL-NET: Data-driven solution-adaptive discretization of partial differential equations

    arxiv:2101.06182, January 18, 2021

    Suryanarayana Maddu, Dominik Sturm, Bevan L Cheeseman, Christian Müller, and Ivo F Sbalzarini

  2. A fast spectral method for electrostatics in doubly-periodic slit channels

    The Journal of Chemical Physics, arxiv:2101.07088, 2021

    Ondrej Maxian, Raul P. Peláez, Leslie Greengard, and Aleksandar Donev

  3. CaImAn an open source tool for scalable calcium imaging data analysis

    eLife, 2021

    Johannes Friedrich, Pat Gunn, A. Giovannucci, Jérémie Kalfon, B. Brown, S. Koay, et al.

  4. Excited states in variational Monte Carlo using a penalty method

    The Journal of Chemical Physics, arxiv:2009.13556, January 15, 2021

    Shivesh Pathak, Brian Busemeyer, João N. B. Rodrigues, and Lucas Wagner

  5. Topological Charge Pumping in Excitonic Insulators

    Physical Review Letters, arxiv:2008.00134, January 12, 2021

    Zhiyuan Sun and Andrew J. Millis

  6. Moiré metrology of energy landscapes in van der Waals heterostructures

    Nature Communications, arxiv:2008.04835, January 11, 2021

    Dorri Halbertal, Nathan R. Finney, Sai S. Sunku, Alexander Kerelsky, Carmen Rubio-Verdú, Sara Shabani, et al.

  7. Some recent developments in auxiliary-field quantum Monte Carlo for real materials

    The Journal of Chemical Physics, arxiv:2009.13585, January 11, 2021

    Shi, Hao and Shiwei Zhang

  8. Efficient high-order accurate Fresnel diffraction via areal quadrature and the nonuniform FFT

    Journal of Astronomical Telescopes, Instruments, and Systems, arxiv:2010.05978, January 11, 2021

    Alex H. Barnett

  9. Quantum generative model for sampling many-body spectral functions

    Physical Review B, arxiv:1910.14213, January 8, 2021

    Dries Sels and Eugene Demler

  10. Wave functions, electronic localization, and bonding properties for correlated materials beyond the Kohn-Sham formalism

    Physical Review B, arxiv:2010.04694, January 6, 2021

    A. D. N. James, E. I. Harris-Lee, Alexander Hampel, M. Aichhorn, and S. B. Dugdale

  11. Stochastic Solutions for Linear Inverse Problems using the Prior Implicit in a Denoiser

    NeurIPS21, arxiv:, 2021

    Zahra Kadkhodaie and Eero P. Simoncelli

  12. Nonlinear nanoelectrodynamics of a Weyl metal

    arxiv:, 2021

    Yinming Shao, Ran Jing, Sang Hoon Chae, Chong Wang, Zhiyuan Sun, Eve Emmanouilidou, et al.

  13. Anti-Poiseuille Flow: Increased Vortex Velocity at Superconductor Edges

    arxiv:2112.12825, 2021

    T. Okugawa, A. Benyamini, A. J. Millis, and D. M. Kennes

  14. Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Towards Benchmark Quantum Chemistry for Transition Metals

    arxiv:, 2021

    Benjamin Rudshteyn, John Weber, Dilek Coskun, Pierre A. Devlaminck, Shiwei Zhang, David Reichman, et al.

  15. Exotic Superfluid Phases in Spin Polarized Systems on Optical Lattices

    arxiv:2110.06159, 2021

    Ettore Vitali, Peter Rosenberg, and Shiwei Zhang

  16. Precision Many-Body Study of the Berezinskii-Kosterlitz-Thouless Transition and Temperature-Dependent Properties in the Two-Dimensional Fermi Gas

    arxiv:2110.14493, 2021

    Yuan-Yao He, Hao Shi, and Shiwei Zhang

  17. Stripes and spin-density waves in the doped two-dimensional Hubbard model: ground state phase diagram

    arxiv:2112.02187, 2021

    Hao Xu, Hao Shi, Ettore Vitali, Mingpu Qin, and Shiwei Zhang

  18. Correlation-consistent Gaussian basis sets for solids made simple

    arxiv:2112.05824, 2021

    Hong-Zhou Ye and Timothy C. Berkelbach

  19. Tunable Cr4+ Molecular Color Centers

    arxiv:, 2021

    Daniel W. Laorenza, Arailym Kairalapova, Sam L. Bayliss, Tamar Goldzak, Samuel M. Greene, Leah R. Weiss, et al.

  20. Approximating matrix eigenvalues by subspace iteration with repeated random sparsification

    arxiv:2103.12109, 2021

    Samuel M. Greene, Robert J. Webber, Timothy C. Berkelbach, and Jonathan Weare

  21. Full-frequency GW without frequency

    arxiv:2009.14315, January 1, 2021

    Sylvia J. Bintrim and Timothy C. Berkelbach

  22. Anharmonic Lattice Dynamics from Vibrational Dynamical Mean-Field Theory

    arxiv:2109.00028, 2021

    Petra Shih and Timothy C. Berkelbach

  23. A simplified GW/BSE approach for charged and neutral excitation energies of large molecules and nanomaterials

    arxiv:2109.04421, 2021

    Yeongsu Cho, Sylvia J. Bintrim, and Timothy C. Berkelbach

  24. Triplet superconductivity from non-local Coulomb repulsion in Sn/Si(111)

    arxiv:2107.03482, 2021

    Sebastian Wolf, Domenico Di Sante, Tilman Schwemmer, Ronny Thomale, and Stephan Rachel

  25. Hierarchy of Ideal Flatbands in Chiral Twisted Multilayer Graphene Models

    arxiv:2109.10325, 2021

    Jie Wang and Zhao Liu

  26. Van Hove tuning of AV3Sb5 kagome metals under pressure and strain

    arxiv:2111.09342, 2021

    Armando Consiglio, Tilman Schwemmer, Xianxin Wu, Werner Hanke, Titus Neupert, Ronny Thomale, et al.

  27. Fractional Quantum Hall States on CP2 Space

    arxiv:2109.11522, 2021

    Jie Wang, Semyon Klevtsov, and Michael R. Douglas

  28. Continuous-variable neural-network quantum states and the quantum rotor model

    arxiv:2107.07105, 2021

    James Stokes, Saibal De, and Giuseppe Carleo

  29. Overcoming barriers to scalability in variational quantum Monte Carlo

    arxiv:2106.13308, 2021

    Tianchen Zhao, Saibal De, Brian Chen, and James Stokes

  30. The effects of strain in multi-orbital superconductors: the case of Sr

    arxiv:2111.13506, 2021

    Sophie Beck, Alexander Hampel, Manuel Zingl, Carsten Timm, and Aline Ramires

  31. Thermalization of dilute impurities in one dimensional spin chains

    arxiv:2105.09348, 2021

    Dries Sels and Anatoli Polkovnikov

  32. Markovian baths and quantum avalanches

    arxiv:2108.10796, 2021

    Dries Sels

  33. Digital quantum simulation of NMR experiments

    arxiv:2109.13298, 2021

    Kushal Seetharam, Debopriyo Biswas, Crystal Noel, Andrew Risinger, Daiwei Zhu, Or Katz, et al.

  34. Platform tailored co-design of gate-based quantum simulation

    arxiv:2111.00024, 2021

    Kushal Seetharam, Dries Sels, and Eugene Demler

  35. Ab-initio investigation of Er3+ defects in tungsten disulfide

    arxiv:2201.12455, 2021

    Gabriel I. López-Morales, Alexander Hampel, Gustavo E. López, Vinod M. Menon, Johannes Flick, and Carlos A. Meriles

  36. Simple Exchange-Correlation Energy Functionals for Strongly Coupled Light-Matter Systems based on the Fluctuation-Dissipation Theorem

    arxiv:2104.06980, 2021

    Johannes Flick

  37. Cavity-Modulated Proton Transfer Reactions

    arxiv:2112.02138, 2021

    Fabijan Pavošević, Sharon Hammes-Schiffer, Angel Rubio, and Johannes Flick

  38. Polaritonic Unitary Coupled Cluster for Quantum Computations

    arxiv:2106.09842, 2021

    Fabijan Pavošević and Johannes Flick

  39. Linear free energy relationships in electrostatic catalysis

    arxiv:2111.14978, 2021

    Norah M. Hoffmann, Xiao Wang, and Timothy C. Berkelbach

  40. Robust Pipek–Mezey Orbital Localization in Periodic Solids

    arxiv:2103.04562, 2021

    Marjory C. Clement, Xiao Wang, and Edward F. Valeev

  41. Rotational g factors and Lorentz forces of molecules and solids from density-functional perturbation theory

    arxiv:2112.11946, 2021

    Asier Zabalo, Cyrus E. Dreyer, and Massimiliano Stengel

  42. Topology invisible to eigenvalues in obstructed atomic insulators

    arxiv:2107.00647, 2021

    Jennifer Cano, L. Elcoro, M. I. Aroyo, B. Andrei Bernevig, and Barry Bradlyn

  43. Gapless electronic topology without free-electron counterpart

    arxiv:2110.06182, 2021

    Haoyu Hu, Lei Chen, Chandan Setty, Sarah E. Grefe, Andrey Prokofiev, Stefan Kirchner, et al.

  44. Staggered Pseudo Magnetic Field in Twisted Transition Metal Dichalcogenides: Physical Origin and Experimental Consequences

    arxiv:2110.14570, 2021

    Jie Wang, Jiawei Zang, Jennifer Cano, and Andrew J. Millis

  45. Cavity-modified unimolecular dissociation reactions via intramolecular vibrational energy redistribution

    arxiv:2109.06631, 2021

    Derek Wang, Tomàš Neuman, Susanne Yelin, and Johannes Flick

  46. Magic angle conditions for twisted 3D topological insulators

    arxiv:2112.11464, 2021

    Aaron Dunbrack and Jennifer Cano

  47. Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity

    arxiv:2104.12429, 2021

    Christian Schäfer, Johannes Flick, Enrico Ronca, Prineha Narang, and Angel Rubio

  48. Error Rate Reduction of Single-Qubit Gates via Noise-Aware Decomposition

    arxiv:2104.07038, 2021

    Thomas Maldonado, Johannes Flick, Stefan Krastanov, and Alexey Galda

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