Related papers: A machine-learning framework for accelerating spin…
One of the most important tasks in modern quantum science is to coherently control and entangle many-body systems, and to subsequently use these systems to realize powerful quantum technologies such as quantum-enhanced sensors. However,…
Simulating large scale lattice dynamics directly is computationally demanding due to the high complexity involved, yet such simulations are crucial for understanding the mechanical and thermal properties of many physical systems. In this…
We present a perturbative method for ab initio calculations of rotational and rovibrational effective Hamiltonians of both rigid and non-rigid molecules. Our approach is based on a curvilinear implementation of second order vibrational…
Lattice calculations of the hadronic contributions to the muon anomalous magnetic moment are numerically highly demanding due to the necessity of reaching total errors at the sub-percent level. Noise-reduction techniques such as low-mode…
First-principles calculations enable accurate predictions of electronic interactions and dynamics. However, computing the electron spin dynamics remains challenging. The spin-orbit interaction causes various dynamical phenomena that couple…
Stable partitioned techniques for simulating unsteady fluid-structure interaction (FSI) are known to be computationally expensive when high added-mass is involved. Multiple coupling strategies have been developed to accelerate these…
The isolation and control of disparate degrees of freedom underpin quantum simulators. We advance the programmability of cold atom quantum simulators with a first realization of the dynamic interplay of spatial and spin degrees of freedom.…
Electron-phonon coupling (EPC) plays an important role in many fundamental physical phenomena, but the high computational cost of the EPC matrix hinders the theoretical research on them. In this paper, an analytical formula is derived to…
A computer code is written that simulates the relaxation back to thermal equilibrium of an ensemble of particles after a pi/2 pulse. Beginning with Bloch's equations the exponential relaxation behavior is discussed and the transition into a…
We investigate the inelastic spin-flip rate for electrons in a quantum dot due to their contact hyperfine interaction with lattice nuclei. In contrast to other works, we obtain a spin-phonon coupling term from this interaction by taking…
The recent increase in data availability and reliability has led to a surge in the development of learning-based model predictive control (MPC) frameworks for robot systems. Despite attaining substantial performance improvements over their…
We introduce a new quantum embedding method to explore spin-phonon interactions in molecular magnets. This technique consolidates various spin/phonon couplings into a limited number of collective degrees of freedom, allowing for a fully…
Particle-In-Cell (PIC) methods are frequently used for kinetic, high-fidelity simulations of plasmas. Implicit formulations of PIC algorithms feature strong conservation properties, up to numerical round-off errors, and are not subject to…
We employ the method of the theory of open quantum systems to analyze spin relaxation and decoherence in semiconductors in the presence of a magnetic field. We derive a set of Bloch equations for electron spin with a fully microscopic…
An atomistic method of calculating the spin-lattice relaxation times ($T_1$) is presented for donors in silicon nanostructures comprising of millions of atoms. The method takes into account the full band structure of silicon including the…
Computational materials science increasingly benefits from data management, automation, and algorithm-based decision-making for the simulation of material properties and behavior. Experimental materials science also changes rapidly by…
Predictive simulations of complex systems are essential for applications ranging from weather forecasting to drug design. The veracity of these predictions hinges on their capacity to capture the effective system dynamics. Massively…
Lubricated friction is a multiscale problem where molecular processes dictate the macroscopic response of the system. Traditional lubrication models rely on semi-empirical constitutive relations, which become unreliable under extreme…
Many efforts have succeeded over the last decade at lengthening the timescale in which spin qubits loss quantum information under free evolution. With these design principles at a mature stage, it is now timely to widen the scope and take…
The realisation of quantum computers based on molecular electronic spins requires the design of qubits with very long coherence times, T2. Dephasing can proceed over several different microscopic pathways, active at the same time and in…