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Lattice effective field theory applies the principles of effective field theory in a lattice framework where space and time are discretized. Nucleons are placed on the lattice sites, and the interactions are tuned to replicate the observed…
We introduce a method for global optimization of the structure of atomic systems that uses additional atoms with fractional existence. The method allows for movement of atoms over long distances bypassing energy barriers encountered in the…
Understanding strongly correlated quantum materials, such as high $T_\textrm{c}$ superconductors, iron-based superconductors, and twisted bilayer graphene systems, remains to be one of the outstanding challenges in condensed matter physics.…
We extend the formulation of the spin wave theory for the Kondo lattice model, which was mainly used for the ferromagnetic metallic state, to general magnetic orders including complex noncollinear and noncoplanar orders. The 1/S expansion…
Since the initial discovery of gravitational waves in 2015, significant developments have been made towards waveform interpretation and estimation of compact binary source parameters. We present herein an implementation of the generalized…
We propose two experimental schemes for nanofiber-based compensated optical dipole traps that optimize the collective coupling of a one-dimensional array of atoms. The created array satisfies the second-order Bragg condition ($d=\lambda$),…
Calculations in Kohn-Sham density functional theory crucially rely on high-quality approximations for the exchange-correlation (xc) functional. Standard local and semi-local approximations fail to predict the ionization potential (IP) and…
Atomistic modelling of magnetic materials provides unprecedented detail about the underlying physical processes that govern their macroscopic properties, and allows the simulation of complex effects such as surface anisotropy, ultrafast…
Simulation of mesoscopic nanostructures is a central challenge in condensed matter physics and device applications. First-principles methods provide accurate electronic structures but are computationally prohibitive for large systems, while…
It has been shown that the Kohn--Luttinger superconductivity mechanism interplaying with other types of ordering can be implemented in systems with a hexagonal lattice. A number of unusual properties of such systems in the normal phase have…
Gravitational waves (GWs) emitted by generic black-hole binaries show a rich structure that directly reflects the complex dynamics introduced by the precession of the orbital plane, which poses a real challenge to the development of generic…
Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons upon the presence of stress applying Density Functional Theory within the GGA-PBE approximation. The uniaxial stress is applied along…
Carbon nanoribbon or nanographene qubit arrays can facilitate quantum-to-quantum transduction between light, charge, and spin, making them an excellent testbed for fundamental science in quantum coherent systems and for the construction of…
A recently developed dynamical mean-field theory in the iterated perturbation theory approximation was used as a basis for construction of the "first principles" calculation scheme for investigating electronic structure of strongly…
The global-in-time existence and uniqueness of bounded weak solutions to a spinorial matrix drift-diffusion model for semiconductors is proved. Developing the electron density matrix in the Pauli basis, the coefficients (charge density and…
We use a neural network approach to explore the inverse problem of Bloch oscillations in a monoatomic linear chain: given a signal describing the path of oscillations of electrons as a function of time, we determine the strength of the…
We present a formulation for high-order generalized periodicity conditions in the context of a high-order electromechanical theory including flexoelectricity, strain gradient elasticity and gradient dielectricity, with the goal of studying…
Recently, a diffusion Monte Carlo algorithm was applied to the study of spin dependent interactions in condensed matter. Following some of the ideas presented therein, and applied to a Hamiltonian containing a Rashba-like interaction, a…
We present simulation results on the structure and dynamics of micromagnetic point singularities with atomistic resolution. This is achieved by embedding an atomistic computational region into a standard micromagnetic algorithm. Several…
We generalize the integrable Heisenberg ferromagnet model according to each Hermitian symmetric spaces and address various new aspects of the generalized model. Using the first order formalism of generalized spins which are defined on the…