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This article presents the development and validation of a hybrid multi-sphere discrete element framework - Rigid3D, for the simulation of granular systems with arbitrarily shaped particles in 3D space. In this DEM framework, a non-spherical…
Magnetically coupled hybrid quantum systems enable robust quantum state control through Landau-Zener transitions. Here, we show that an ultracold atomic sample coupled to a nanomechanical resonator via oscillating magnetic fields can be…
For decades transition-metal oxides have generated a huge interest due to the multitude of physical phenomena they exhibit. In this class of materials, the rare-earth nickelates, $R$NiO$_3$, stand out for their rich phase diagram stemming…
Electron tomography is a powerful tool for understanding the morphology of materials in three dimensions, but conventional reconstruction algorithms typically suffer from missing-wedge artifacts and data misalignment imposed by experimental…
Quasi two-dimensional Coulomb systems have drawn widespread interest. The reduced symmetry of these systems leads to complex collective behaviors, yet simultaneously poses significant challenges for particle-based simulations. In this…
A neoclassically optimized compact stellarator with simple coils has been designed. The magnetic field of the new stellarator is generated by only four planar coils including two interlocking coils of elliptical shape and two circular…
The realization of quantum advantage with noisy-intermediate-scale quantum (NISQ) machines has become one of the major challenges in computational sciences. Maintaining coherence of a physical system with more than ten qubits is a critical…
We lay out an experiment to realize time-reversal invariant topological insulators in alkali atomic gases. We introduce an original method to synthesize a gauge field in the near-field of an atom-chip, which effectively mimics the effects…
Layered Li(Ni,Mn,Co,)O$_2$ (NMC) presents an intriguing ternary alloy design space for optimization as a cathode material in Li-ion batteries. Recently, the high cost and resource limitations of Co have added a new design constraint and…
Meeting of non-trivial topology with magnetism results in novel phases of matter, such as Quantum Anomalous Hall (QAH) or axion insulator phases. Even more exotic states with high and tunable Chern numbers are expected at the contact of…
We calculate form factors relevant for rare B decays using moving-NRQCD for the b quark and the AsqTad action for the light quarks. Moving NRQCD allows us to work directly with the physical b quark mass and go to higher recoil momentum…
In the SU(3) Nambu-Jona-Lasinio (NJL) model of a thermally magnetized medium, the regularization methods adopted for the thermodynamic potential and the mass gap equation are utilized to calculate the relevant thermodynamic quantities in…
A theory is presented for a novel recursion method for O(N) ab initio tight-binding calculations. A long-standing problem of generalizing the recursion method to a non-orthogonal basis, which is a crucial step to make the recursion method…
Motivated by the discovery of high-temperature superconductivity in bilayer nickelate La$_3$Ni$_2$O$_7$ under pressure, we investigate the ground-state phase diagram and correlation effects using determinant quantum Monte Carlo simulations…
Metamagnetic transitions in single-crystal rare-earth nickel borocarbide HoNi$_2$B$_2$C have been studied at T\approx 1.9 K with a Quantum Design torque magnetometer. This compound is highly anisotropic with a variety of metamagnetic states…
Hybrid computational schemes combining the advantages of a method of moments formulation of a field integral equation and T-matrix method are developed in this paper. The hybrid methods are particularly efficient when describing the…
The interaction between localized f and itinerant conduction electrons is crucial in the electronic properties of heavy fermion and valence fluctuating compounds. Using high-resolution angle-resolved photoemission spectroscopy, we…
Using the Density Matrix Renormalization Group technique we study the effect of spin-orbit coupling on a three-orbital Hubbard model in the $(t_{2g})^{4}$ sector and in one dimension. Fixing the Hund coupling to a robust value compatible…
We search for new superhard B-N-O compounds with an iterative machine learning (ML) procedure, where ML models are trained using sample crystal structures from evolutionary algorithm. We first use cohesive energy to evaluate the…
We implemented a coarse-graining procedure to construct mesoscopic models of complex molecules. The final aim is to obtain better results on properties depending on slow modes of the molecules. Therefore the number of particles considered…