Publications

We present a review of the Sachdev-Ye-Kitaev (SYK) model of compressible quantum many-body systems without quasiparticle excitations, and its connections to various theoretical studies of non-Fermi liquids in condensed matter physics. The review is placed in the context of numerous experimental observations on correlated electron materials. Strong correlations in metals are often associated with their proximity to a Mott transition to an insulator created by the local Coulomb repulsion between the electrons. We explore the phase diagrams of a number of models of such local electronic correlation, employing a dynamical mean field theory in the presence of random spin exchange interactions. Numerical analyses and analytical solutions, using renormalization group methods and expansions in large spin degeneracy, lead to critical regions which display SYK physics. The models studied include the single-band Hubbard model, the t-J model and the two-band Kondo-Heisenberg model in the presence of random spin exchange interactions. We also examine non-Fermi liquids obtained by considering each SYK model with random four-fermion interactions to be a multi-orbital atom, with the SYK-atoms arranged in an infinite lattice. We connect to theories of sharp Fermi surfaces without any low-energy quasiparticles in the absence of spatial disorder, obtained by coupling a Fermi liquid to a gapless boson; a systematic large N theory of such a critical Fermi surface, with SYK characteristics, is obtained by averaging over an ensemble of theories with random boson-fermion couplings. Finally, we present an overview of the links between the SYK model and quantum gravity and end with an outlook on open questions.

We report measurements of the Seebeck effect in both the ab plane (S

We perform nuclear magnetic resonance (NMR) measurements of the oxygen-17 Knight shifts for Sr

We introduce a systematically improvable family of variational wave functions for the simulation of strongly correlated fermionic systems. This family consists of Slater determinants in an augmented Hilbert space involving "hidden" additional fermionic degrees of freedom. These determinants are projected onto the physical Hilbert space through a constraint which is optimized, together with the single-particle orbitals, using a neural network parametrization. This construction draws inspiration from the success of hidden particle representations but overcomes the limitations associated with the mean-field treatment of the constraint often used in this context. Our construction provides an extremely expressive family of wave functions, which is proven to be universal. We apply this construction to the ground state properties of the Hubbard model on the square lattice, achieving levels of accuracy which are competitive with and in some cases superior to state-of-the-art computational methods.

We present a fully charge self-consistent implementation of dynamical mean field theory (DMFT) combined with density functional theory (DFT) for electronic structure calculations of materials with strong electronic correlations. The implementation uses the Quantum ESPRESSO package for the density functional theory calculations, the Wannier90 code for the up-/downfolding and the TRIQS software package for setting up and solving the DMFT equations. All components are available under open source licenses, are MPI-parallelized, fully integrated in the respective packages, and use an hdf5 archive interface to eliminate file parsing. We show benchmarks for three different systems that demonstrate excellent agreement with existing DFT+DMFT implementations in other ab-initio electronic structure codes.

Recent years have seen significant developments in the study of strong light-matter coupling including the control of chemical reactions by altering the vibrational normal modes of molecules. In the vibrational strong coupling regime the normal modes of the system become hybrid modes which mix nuclear, electronic, and photonic degrees of freedom. First principles methods capable of treating light and matter degrees of freedom on the same level of theory are an important tool in understanding such systems. In this work, we develop and apply a generalized force constant matrix approach to the study of mixed vibration-photon (vibro-polariton) states of molecules based on the cavity Born-Oppenheimer approximation and quantum-electrodynamical density-functional theory. With this method vibro-polariton modes and infrared spectra can be computed via linear response techniques analogous to those widely used for conventional vibrations and phonons. We also develop an accurate model that highlights the consistent treatment of cavity coupled electrons in the vibrational strong coupling regime. These electronic effects appear as new terms previously disregarded by simpler models. This effective model also allows for an accurate extrapolation of single and two molecule calculations to the collective strong coupling limit of hundreds of molecules. We benchmark these approaches for single and many CO

In the current era of Noisy Intermediate-Scale Quantum (NISQ) technology, the practical use of quantum computers remains inhibited by our inability to aptly decouple qubits from their environment to mitigate computational errors. In this work, we introduce an approach by which knowledge of a qubit's initial quantum state and the standard parameters describing its decoherence can be leveraged to mitigate the noise present during the execution of a single-qubit gate. We benchmark our protocol using cloud-based access to IBM quantum processors. On ibmq

Strong light-matter interaction in cavity environments is emerging as a promising approach to control chemical reactions in a non-intrusive and efficient manner. The underlying mechanism that distinguishes between steering, accelerating, or decelerating a chemical reaction has, however, remained unclear, hampering progress in this frontier area of research. We leverage quantum-electrodynamical density-functional theory to unveil the microscopic mechanism behind the experimentally observed reduced reaction rate under cavity induced resonant vibrational strong light-matter coupling. We observe multiple resonances and obtain the thus far theoretically elusive but experimentally critical resonant feature for a single strongly-coupled molecule undergoing the reaction. While we do not explicitly account for collective coupling or intermolecular interactions, the qualitative agreement with experimental measurements suggests that our conclusions can be largely abstracted towards the experimental realization. Specifically, we find that the cavity mode acts as mediator between different vibrational modes. In effect, vibrational energy localized in single bonds that are critical for the reaction is redistributed which ultimately inhibits the reaction.

We derive a general low-energy theory for twisted moiré heterostructures comprised of Dirac materials. We apply our theory to heterostructures on the surface of a three dimensional topological insulator (3D TI). First, we consider the interface between two 3D TIs arranged with a relative twist angle. We prove that if the two TIs are identical, then a necessary condition for a magic angle where the Dirac cone velocity vanishes is to have an interlayer spin-flipping hopping term. Without this term, the Dirac cone velocities can still be significantly renormalized, decreasing to less than half of their original values, but they will not vanish. Second, we consider graphene on the surface of a TI arranged with a small twist angle. Again, a magic angle is only achievable with a spin-flipping hopping term. Without this term, the Dirac cone is renormalized, but not significantly. In both cases, our perturbative results are verified by computing the band structure of the continuum model. The enhanced density of states that results from decreasing the surface Dirac cone velocity provides a tunable route to realizing interacting topological phases.