相关论文: A simple local expression for the prefactor in tra…
We have developed a computational code, DynaPhoPy, that allow us to extract the microscopic anharmonic phonon properties from molecular dynamics (MD) simulations using the normal-mode-decomposition technique as presented by Sun et al. [T.…
We propose to identify process zones in heterogeneous materials by tailored statistical tools. The process zone is redefined as the part of the structure where the random process cannot be correctly approximated in a low-dimensional…
We present an efficient method to compute transition rates between states for a two-state system. The method utilizes the equivalence between steady-state flux and mean first passage rate for such systems. More specifically, the procedure…
It is demonstrated how the exciton and the biexciton state of a quantum dot can be prepared with high fidelity on a picosecond time-scale by driving the dot with a strong laser pulse that is tuned above the exciton resonance for exciton…
In order to obtain a reasonably accurate and easily implemented approach to many-electron calculations, we will develop a new Density Functional Theory (DFT). Specifically, we derive an approximation to electron density, the first term of…
A real space diagrammatic method, which is an extension of the Berezinskii technique to problems with periodic boundary condition, is formulated to study the density of states (DOS) \rho(\epsilon,\phi) and its moments for a one-channel…
In this work we develop an implementation of the Wang--Landau algorithm [Phys. Rev. Lett. \textbf{86}, 2050-2053 (2001)]. This algorithm allows us to find the density of states (DOS), a function that, for a given system, describes the…
We developed a method for computing matrix elements of single-particle operators in the correlated random phase approximation ground state. Working with the explicit random phase approximation ground state wavefunction, we derived…
Studies on quantum algorithms for ground state energy estimation often assume perfect ground state preparation; however, in reality the initial state will have imperfect overlap with the true ground state. Here we address that problem in…
The resonances of forced dynamical systems occur when either the amplitude of the frequency response undergoes a local maximum (amplitude resonance) or phase lag quadrature takes places (phase resonance). This study focuses on the phase…
The phonon density-of-states (DOS) summarizes the lattice vibrational modes supported by a structure, and gives access to rich information about the material's stability, thermodynamic constants, and thermal transport coefficients. Here, we…
We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, by employing a wave-packet description that resolves the…
Dynamical quantum phase transitions (DQPTs) are criticalities in the time evolution of quantum systems and their existence has been theoretically predicted and experimentally observed. However, how the system behaves in the vicinity of DQPT…
While quantum computers have shown significant promise for electronic structure calculations, their potential to accelerate density functional theory (DFT) calculations remains unclear. In this work, we present a qubit-efficient encoding…
We introduce a quantum algorithm to efficiently prepare states with a small energy variance at the target energy. We achieve it by filtering a product state at the given energy with a Lorentzian filter of width $\delta$. Given a local…
High-precision frequency estimation is an ubiquitous issue in fundamental physics and a critical task in spectroscopy. Here, we propose a quantum Ramsey interferometry to realize high-precision frequency estimation in spin-1 Bose-Einstein…
We consider performing phase estimation under the following conditions: we are given only one copy of the input state, the input state does not have to be an eigenstate of the unitary, and the state must not be measured. Most quantum…
Phonon densities of states (DOS) of bcc $\alpha$-$^{57}$Fe were measured from room temperature through the 1044K Curie transition and the 1185K fcc $\gamma$-Fe phase transition using nuclear resonant inelastic x-ray scattering. At higher…
A number of tools have been developed to detect topological phase transitions in strongly correlated quantum systems. They apply under different conditions, but do not cover the full range of many-body models. It is hence desirable to…
We consider a Ginzburg-Landau partial differential equation in a bounded interval, perturbed by weak spatio-temporal noise. As the interval length increases, a transition between activation regimes occurs, in which the classical Kramers…