Related papers: Approximate but Accurate Quantum Dynamics from the…
We propose a neural-network variational quantum algorithm to simulate the time evolution of quantum many-body systems. Based on a modified restricted Boltzmann machine (RBM) wavefunction ansatz, the proposed algorithm can be efficiently…
We aim at deriving an equation of motion for specific sums of momentum mode occupation numbers from models for electrons in periodic lattices experiencing elastic scattering, electron-phonon scattering or electron-electron scattering. These…
The algebraic reformulation of molecular Quantum Electrodynamics (mQED) at finite temperatures is applied to Nuclear Magnetic Resonance (NMR) in order to provide a foundation for the reconstruction of much more detailed molecular…
We develop a microscopic approach to the consistent construction of the kinetic theory of dilute weakly ionized gases of hydrogen-like atoms. The approach is based on the framework of the second quantization method in the presence of bound…
The dynamics of open quantum systems is formulated in a minimally extended state space comprising the degrees of freedom of a system of interest and a finite set of non-unitary, pure-state reservoir modes. This formal structure, derived…
A system of reduced equations is proposed for the electron motion in the strongly-radiation dominated regime for an arbitrary electromagnetic field configuration. The developed approach is used to analyze various scenarios of an electron…
We study the solution of symmetric positive-definite linear systems by way of families of full- and limited-memory methods. Our contributions are threefold. We first derive new relationships between the conjugate-gradient method (CG) and…
In statistical physics, the Nakajima-Mori-Zwanzig projection operator formalism is used to derive an integro-differential equation for observables in a Hilbert space, the generalized Langevin equation (GLE). This technique relies on the…
A generalized formalism of the so-called non-adiabatic quantum molecular dynamics is presented, which applies for atomic many-body systems in external laser fields. The theory treats the nuclear dynamics and electronic transitions…
Composition optimization is widely-applied in nonconvex machine learning. Various advanced stochastic algorithms that adopt momentum and variance reduction techniques have been developed for composition optimization. However, these…
Fault-tolerant quantum computing requires extremely precise knowledge and control of qubit dynamics during the application of a gate. We develop a data-driven learning protocol for characterizing quantum gates that builds off previous work…
Relying upon our previous treatment of the density matrices for nuclei (in general, nonrelativistic self-bound finite systems) we are studying a combined effect of center-of-mass motion and short-range nucleon-nucleon correlations on the…
We develop a systematic field-theoretical approach to open quantum systems based on condensed-matter many-body methods. The time evolution of the reduced density matrix for the open quantum system is determined by a transmission matrix.…
In this contribution we derive and analyze a new numerical method for kinetic equations based on a variable transformation of the moment approximation. Classical minimum-entropy moment closures are a class of reduced models for kinetic…
A general method is described for finding algebraic expressions for matrix elements of any one- and two-particle operator for an arbitrary number of subshells in an atomic configuration, requiring neither coefficients of fractional…
Using a quasi-spherical approximation of an affine-null metric adapted to an asymptotic Bondi inertial frame, we present high order approximations of the metric functions in terms of the specific angular momentum for a slowly rotating…
Our focus is on simulating the dynamics of non-interacting particles including the effects of an external potential, which, under certain assumptions, can be formally described by the Dean-Kawasaki equation. The Dean-Kawasaki equation can…
This work proposes a model-reduction approach for the material point method on nonlinear manifolds. Our technique approximates the $\textit{kinematics}$ by approximating the deformation map using an implicit neural representation that…
Kohn-Sham spin-density functional theory provides an efficient and accurate model to study electron-electron interaction effects in quantum dots, but its application to large systems is a challenge. An efficient algorithm for the…
Classical molecular dynamics (MD) has been shown to be effective in simulating heat conduction in certain molecular junctions since it inherently takes into account some essential methodological components which are lacking with quantum…