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We derive a widely-applicable first principles approach for determining two-body, static effective interactions for low-energy Hamiltonians with quantitative accuracy. The algebraic construction rigorously conserves all instantaneous…
We have developed a symmetry-adapted modeling procedure for molecules and crystals. By using the completeness of multipoles to express spatial and time-reversal parity-specific anisotropic distributions, we can generate systematically the…
We identify the low energy effective Hamiltonian that is expected to describe the low temperature properties of the frustrated magnet $\mathrm{Ca}_{10}\mathrm{Cr}_{7}\mathrm{O}_{28}$. Motivated by the fact that this effective Hamiltonian…
It is shown that the quantum Hamiltonian characterising a non-relativistic electron under the influence of an external spherical symmetric electromagnetic potential exhibits a supersymmetric structure. Both cases, spherical symmetric scalar…
We propose dynamical control schemes for Hamiltonian simulation in many-body quantum systems that avoid instantaneous control operations and rely solely on realistic bounded-strength control Hamiltonians. Each simulation protocol consists…
Electronic transitions involving core-level orbitals offer a localized, atomic-site and element specific peek window into statistical systems such as molecular liquids. Although formally understood, the complex relation between structure…
We propose a simple quantum algorithm for simulating highly oscillatory quantum dynamics, which does not require complicated quantum control logic for handling time-ordering operators. To our knowledge, this is the first quantum algorithm…
We develop randomized quantum algorithms to simulate quantum collision models, also known as repeated interaction schemes, which provide a rich framework to model various open-system dynamics. The underlying technique involves composing…
Motivated by the recent Ge hole spin qubit experiments, we construct and study a two-leg spin ladder from a quantum dot array with spin-orbit couplings (SOCs), aiming to uncover the many-body phase diagrams and provide concrete guidance for…
Liquid Crystal Elastomers (LCEs) are an exciting category of material that has tremendous application potential across a variety of fields, owing to their unique properties that enable both sensing and actuation. To some, LCEs are simply…
We introduce various exchange interactions in a model Hamiltonian for Ce$^{3+}$ ions in cubic symmetry with three configurations ($f^0$,$f^1$,$f^2$). With the impurity pseudo spin $S_I=1/2$, our Hamiltonian includes: (i) One-channel…
Condensed matter physics increasingly focuses on exploiting the magnetic order parameter orientation n as a tuning knob for properties of collinear magnetic materials, but a general method for constructing effective Hamiltonians with…
With the advent of near-term quantum computers, the simulation of properties of solids using quantum algorithms becomes possible. By an adequate description of the system's Hamiltonian, variational methods enable to fetch the band structure…
We develop a multi-reference perturbation theory for electronic structure calculations based on symmetries of the Hamiltonian. The reference Hamiltonian in the symmetry-based perturbation theory (SBPT) is chosen such that it possesses more…
Quantum pseudorandomness, also known as unitary designs, comprise a powerful resource for quantum computation and quantum engineering. While it is known in theory that pseudorandom unitary operators can be constructed efficiently, realizing…
For the new hadron collider LHC and some of its updates in luminosity and energy, as SLHC and VLHC, the silicon detectors could represent an important option, especially for the tracking system and calorimetry. The main goal of this paper…
To understand the electronic shell- and supershell-structure in large metal clusters we have performed self-consistent calculations in the homogeneous, spherical jellium model for a variety of different materials. A scaling analysis of the…
Many important physical systems can be described as the evolution of a Hamiltonian system, which has the important property of being conservative, that is, energy is conserved throughout the evolution. Physics Informed Neural Networks and…
We study the problem of simulating the dynamics of spin systems when the initial state is supported on a subspace of low energy of a Hamiltonian $H$. This is a central problem in physics with vast applications in many-body systems and…
We propose a scheme to construct predictive models for Hamiltonian matrices in atomic orbital representation from ab initio data as a function of atomic and bond environments. The scheme goes beyond conventional tight binding descriptions…