Related papers: Path integral simulation of exchange interactions …
We have developed a theoretical method to study scattering processes of an incident electron through an N-electron quantum dot (QD) embedded in a two-dimensional (2D) semiconductor. The generalized Lippmann-Schwinger equations including the…
Most recently, the path integral molecular dynamics has been successfully used to consider the thermodynamics of single-component identical bosons and fermions. In this work, the path integral molecular dynamics is developed to simulate the…
The use of ensemble Monte Carlo (EMC) methods for the simulation of transport in semiconductor devices has become extensive over the past few decades. This method allows for simulation utilizing particles while addressing the full physics…
A novel method for simulating the statistical mechanics of molecular systems in which both nuclear and electronic degrees of freedom are treated quantum mechanically is presented. The scheme combines a path integral description of the…
Path integral molecular dynamics (PIMD) has been successfully applied to perform simulations of large bosonic systems in a recent work (Hirshberg et al., PNAS, 116, 21445 (2019)). In this work we extend PIMD techniques to study Green's…
A path-integral hybrid Monte Carlo approach with enveloping bridging potentials (PIHMC-EBP) is proposed for calculating numerically exact tunneling splittings in molecular systems. The central idea is to construct an approximately…
Interacting electrons in quantum dots with large Thouless number $g$ in the three classical random matrix symmetry classes are well-understood. When a specific type of spin-orbit coupling known to be dominant in two dimensional…
We develop an algorithm for bosonic path integral molecular dynamics (PIMD) simulations with periodic boundary conditions (PBC) that scales quadratically with the number of particles. Path integral methods are a powerful tool to simulate…
We develop a non-perturbative method for calculating partition functions of strongly coupled quantum mechanical systems with interactions between subsystems described by a path integral of a dual system. The dual path integral is derived…
Recent advances in quantum error correction (QEC) codes for fault-tolerant quantum computing \cite{Terhal2015} and physical realizations of high-fidelity qubits in a broad range of platforms \cite{Kok2007, Brown2011, Barends2014,…
This work shows that the recently discovered operator contraction identity for solving the discreet Path Integral of the harmonic oscillator can be applied equally to fermions in any dimension. This then yields an exactly solvable model for…
Coulomb integrals, i.e., matrix elements of bare or screened Coulomb interaction between one-electron orbitals, are fundamental objects in many approaches developed to tackle the challenging problem of calculating the electronic structure…
Path Integral Molecular Dynamics (PIMD) is a well established simulation technique to compute exact equilibrium properties for a quantum system using classical trajectories in an extended phase space. Standard PIMD simulations are…
Recent experiments on semiconductor quantum dots have demonstrated the ability to utilize a large quantum dot to mediate superexchange interactions and generate entanglement between distant spins. This opens up a possible mechanism for…
Owing to the maturity of complementary metal oxide semiconductor (CMOS) microelectronics, qubits realized with spins in silicon quantum dots (QDs) are considered among the most promising technologies for building scalable quantum computers.…
Electron spins in semiconductor devices are highly promising building blocks for quantum processors (QPs). Commercial semiconductor foundries can create QPs using the same processes employed for conventional chips, once the QP design is…
Gate-defined semiconductor quantum dots require an appropriate number of electrons to function as qubits. The number of electrons is usually tuned by analyzing charge stability diagrams, in which charge transitions manifest as edges.…
Two first-principles simulation techniques, path integral Monte Carlo (PIMC) and density functional molecular dynamics (DFT-MD), are applied to study hot, dense helium in the density-temperature range of 0.387 - 5.35 g/cc and 500 K -…
Among many types of quantum entanglement properties, the entanglement spectrum provides more abundant information than other observables. Exact diagonalization and density matrix renormalization group method could handle the system in…
Entangling two quantum bits by letting them interact is the crucial requirements for building a quantum processor. For qubits based on the spin of the electron, these two-qubit gates are typically performed by exchange interaction of the…