Related papers: Monte-Carlo wavefunction approach for the spin dyn…
We present a technique for optimizing hundreds of thousands of variational parameters in variational quantum Monte Carlo. By introducing iterative Krylov subspace solvers and by multiplying by the Hamiltonian and overlap matrices as they…
Mixed quantum-classical models are widely used to reduce the computational cost of fully quantum simulations. However, their general applicability across different classes of problems remains an open question. Here, we address this issue…
We develop a system of non-linear stochastic evolution equations that describes the continuous measurements of quantum systems with mixed initial state. We address quantum systems with unbounded Hamiltonians and unbounded interaction…
We provide an in-depth and thorough treatment of the validity of the rotating-wave approximation (RWA) in an open quantum system. We find that when it is introduced after tracing out the environment, all timescales of the open system are…
A generalization of the stochastic wave function method is presented which allows the unravelling of arbitrary linear quantum master equations which are not necessarily in Lindblad form and, moreover, the explicit treatment of memory…
The importance of spin-correlated radical pairs in biology is increasingly recognized, with roles in biological effects of weak magnetic fields and emerging quantum spin-based biomedical applications. Fluorescence microscopy offers…
Coulomb interaction, following an inverse-square force-law, quantifies the amount of force between two stationary and electrically charged particles. The long-range nature of Coulomb interactions poses a major challenge to molecular…
Trapped atomic ion qubits or effective spins are a powerful quantum platform for quantum computation and simulation, featuring densely connected and efficiently programmable interactions between the spins. While native interactions between…
The radial basis function (RBF) and quasi Monte Carlo (QMC) methods are two very promising schemes to handle high-dimension problems with complex and moving boundary geometry due to the fact that they are independent of dimensionality and…
The dynamics of complex reactive schemes is known to deviate from the Mean Field (MF) theory when restricted on low dimensional spatial supports. This failure has been attributed to the limited number of species-neighbours which are…
We present a practical approach to treat static and dynamical correlation accurately in large multi-configurational systems. The static correlation is accounted for using the spin-flip approach which is well known for capturing static…
Our understanding of collective spin fluctuation in materials relies largely on Heisenberg-type spin Hamiltonians. Implicit in these spin models is the atomic moment picture that in transverse spin dynamics the magnetization around an atom…
The pair contact process with diffusion is studied by means of multispin Monte Carlo simulations and density matrix renormalization group calculations. Effective critical exponents are found to behave nonmonotonically as functions of time…
A classical Monte Carlo algorithm based on the quasi-classical approximation is applied to the pseudospin Hamiltonian of the model cuprate. The model takes into account both local and non-local correlations, Heisenberg spin-exchange…
Classical simulation of open quantum system dynamics remains challenging due to the exponential growth of the Hilbert space, the need to accurately capture dissipation and decoherence, and the added complexity of memory effects in the…
We investigate the inclusion of variable spins in electronic structure quantum Monte Carlo, with a focus on diffusion Monte Carlo with Hamiltonians that include spin-orbit interactions. Following our previous introduction of fixed-phase…
We use a time-dependent dynamical hydrodynamic model to study a collapse in a degenerate fermion-fermion mixture (DFFM) of different atoms. Due to a strong Pauli-blocking repulsion among identical spin-polarized fermions at short distances…
A new approach is presented to improve the performance of semiempirical quantum mechanical (SQM) methods in the description of noncovalent interactions. To show the strategy, the PM6 Hamiltonian was selected, although, in general, the…
The hermitian Wilson kernel used in the construction of the domain-wall and overlap Dirac operators has exceptionally small eigenvalues that make it expensive to reach high-quality chiral symmetry for domain-wall fermions, or high precision…
We analyze the Markovian dynamics of a quantum system involving the interaction of two quantized fields at finite temperature decay. Utilizing superoperator techniques and applying two non-unitary transformations, we reformulate the…