相关论文: Self-Consistent and Environment-Dependent Hamilton…

Understanding the quantum dynamics of spin defects and their coherence properties requires accurate modeling of spin-spin interaction in solids and molecules, for example by using spin Hamiltonians with parameters obtained from…

We describe a simple scheme to construct a low-energy effective Hamiltonian H_eff for highly correlated systems containing non-metals like O, P or As (O in what follows) and a transition-metal (M) as the active part in the electronic…

In quantum simulation, many-body phenomena are probed in controllable quantum systems. Recently, simulation of Bose-Hubbard Hamiltonians using cold atoms revealed previously hidden local correlations. However, fermionic many-body Hubbard…

This work introduces a pair of novel universal MJ spintronic models that precisely mirror the complex spin textures observed in spintronic materials. The spin-orbit coupled (SOC) Hamiltonians H_MJ1 and H_MJ2 reveal a range of novel and…

We have extended our experimentally constrained molecular relaxation technique (P. Biswas {\it et al}, Phys. Rev. B {\bf 71} 54204 (2005)) to hydrogenated amorphous silicon: a 540-atom model with 7.4 % hydrogen and a 611-atom model with 22…

We investigate the problem of determining the Hamiltonian of a locally interacting open-quantum system. To do so, we construct model estimators based on inverting a set of stationary, or dynamical, Heisenberg-Langevin equations of motion…

We present tight binding molecular dynamics simulations of C_60 collisions on the reconstructed diamond(111) surface, carried out with an O(N) method and with cells containing 1140 atoms. The results of our simulations are in very good…

The Schr\"odinger Hamiltonian of a spin zero particle as well as the Pauli Hamiltonian with spin-orbit coupling included of a spin one-half particle in electromagnetic fields that are confined to a curved surface embedded in a…

Quantum machine learning for spin and molecular systems faces critical challenges of scarce labeled data and computationally expensive simulations. To address these limitations, we introduce Hamiltonian-Masked Autoencoding (HMAE), a novel…

Efficiently characterising quantum systems, verifying operations of quantum devices and validating underpinning physical models, are central challenges for the development of quantum technologies and for our continued understanding of…

We develop a tight-binding model based on linear combination of atomic orbitals (LCAO) methods to describe the electronic structure of arrays of acceptors, where the underlying basis states are derived from an effective-mass-theory solution…

Quantum algorithms for electronic-structure simulations are actively being developed, yet many hybrid quantum-classical approaches are bottlenecked by the measurement overhead associated with large molecular Hamiltonians. Here we introduce…

The Hubbard model, which augments independent-electron band theory with a single parameter to describe electron-electron correlations, is widely regarded to be the `standard model' of condensed matter physics. The model has been remarkably…

This paper presents a large-scale $ab$ $initio$ simulation study of amorphous silicon hydride ($a$-Si$_{\text{1-x}}$H$_{\text{x}}$) with an emphasis on the structure and properties of the material across a range of hydrogen concentration by…

The reduction of Hamiltonian systems aims to build smaller reduced models, valid over a certain range of time and parameters, in order to reduce computing time. By maintaining the Hamiltonian structure in the reduced model, certain…

In this paper the nodal structure for He atom is revisited and a procedure for identifying the symmetry properties and nodal structure of the time and spin independent Schroedinger equation will be presented. Application are made to the few…

Quantum chemistry provides a target for quantum simulation of considerable scientific interest and industrial importance. The majority of algorithms to date have been based on a second-quantized representation of the electronic structure…

Integrated photonics provides an important platform for simulating physical models with high-performance chip-scale devices, where the lattice size and the time-dependence of a model are key ingredients for further enriching the…

Waveguide lattices offer a compact and stable platform for a range of applications, including quantum walks, topological effects, condensed matter system simulation, and classical and quantum information processing. In such lattices, the…

Abstract: Solid state sensors having timing capabilities are becoming an absolute need in particle tracking techniques of future experiments at colliders. In this sense, silicon sensors having 3D structure are becoming an interesting…