Related papers: Path Integral Lindblad Dynamics in Presence of Tim…
We introduce mapping-variable ring polymer molecular dynamics (MV-RPMD), a model dynamics for the direct simulation of multi-electron processes. An extension of the RPMD idea, this method is based on an exact, imaginary time path-integral…
Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the nuclear motion in ab initio molecular dynamics simulations. However, the implementation of…
Master equations of Lindblad type have attained prominent status in the fields of quantum optics and quantum information since they are guaranteed to satisfy fundamental notions of quantum dynamics such as complete positivity. When Lindblad…
In this paper, the mathematical framework providing a description of completely positive and trace preserving dynamics of open quantum systems is addressed. Special case of time-dependent Lindbladian governed by periodic Hamiltonian is…
The Lindblad equation is widely employed in studies of Markovian quantum open systems. Here, firstly, a simple result is presented on the time evolution of the non Neumann entropy under the Lindblad equation, which enables one to examine if…
Providing entanglement for the design of quantum technologies in the presence of noise constitutes today's main challenge in quantum information science. A framework is required that assesses the build-up of entanglement in realistic…
We present an accelerated ``on-the-fly'' coupled-cluster path-integral molecular dynamics (PIMD) method for finite-temperature simulations in which electron correlation and nuclear quantum effects are treated simultaneously. The approach is…
Path integrals similar to those describing stiff polymers arise in the Helfrich model for membranes. We show how these types of path integrals can be evaluated and apply our results to study the thermodynamics of a minority stripe phase in…
We introduce a variational hybrid classical-quantum algorithm to simulate the Lindblad master equation and its adjoint for time-evolving Markovian open quantum systems and quantum observables. Our method is based on a direct representation…
In our recent work [H. Zhang, F.X. Trias, A. Oliva, D. Yang, Y. Tan, Y. Sheng. PIBM: Particulate immersed boundary method for fluid-particle interaction problems. Powder Technology. 272(2015), 1-13.], a particulate immersed boundary method…
We study electron transport in molecular nanojunctions that are driven by incoherent radiation using Markovian quantum dynamics based on the Lindblad quantum master equation. General expressions for the transient electron and photon…
The path integral approach offers not only an exact expression for the non- equilibrium dynamics of dissipative quantum systems, but is also a convenient starting point for perturbative treatments. An alternative way to explore the…
It is well known that the number of particles should be scaled up to enable industrial scale simulation. The calculations are more computationally intensive when the motion of the surrounding fluid is considered. Besides the advances in…
We use a space-time discretization based on physics informed deep learning (PIDL) to approximate solutions of a class of rate-dependent strain gradient plasticity models. The differential equation governing the plastic flow, the so-called…
In this work, we propose a path integral-inspired formalism for computing the quantum thermal expectation values of spin systems, when subject to magnetic fields that can be time-dependent and can accommodate the presence of Heisenberg…
The Lindblad equation is commonly used for studying quantum dynamics in open systems that cannot be completely isolated from an environment, relevant to a broad variety of research fields, such as atomic physics, materials science, quantum…
Characterizing the environmental interactions of quantum systems is a critical bottleneck in the development of robust quantum technologies. Traditional tomographic methods are often data-intensive and struggle with scalability. In this…
A mathematical description of the reduced dynamics of an open quantum system can often be given in terms of a completely positive and trace preserving (CPTP) map, also known as quantum channel. In a seminal work by Wolf et al. [Phys. Rev.…
The boundary conditions corresponding to the Matsubara formalism for the $T > 0$ partition function may be introduced as {\em constraints} in the path integral for the vacuum amplitude. We implement those constraints with time-independent…
We present an embedding of stochastic optimal control problems, of the so called path integral form, into reproducing kernel Hilbert spaces. Using consistent, sample based estimates of the embedding leads to a model free, non-parametric…